0 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 6.864 7.07775 5.80928 7.75618 4.96411 9.74255 7.08342 5.5841 9.80108 9.58539 8.58657 7.02548 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 7.20519 6.864 7.07775 4.54938 7.34551 5.80928 7.75618 4.96411 7.08342 9.74255 5.5841 9.80108 8.58657 9.58539 7.02548 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 7.82074 10.3915 5.03957 6.41575 4.64838 4.97119 6.01808 5.14627 6.20943 7.82528 10.2708 5.82366 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 8.4674 7.82074 10.3915 4.54938 7.67038 5.03957 6.41575 4.64838 6.01808 4.97119 5.14627 6.20943 10.2708 7.82528 5.82366 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 6.41575 4.97119 4.64838 6.01808 10.9543 8.78293 13.4721 12.6444 13.1234 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 6.41575 4.97119 6.01808 4.64838 10.9543 8.78293 12.6444 13.4721 13.1234 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 6.41575 4.97119 4.64838 6.01808 6.55187 8.23643 14.6255 8.73972 11.3136 numMergedOcc 0
7 mol 19 unq 3 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 6.41575 4.97119 6.01808 4.64838 6.55187 8.23643 8.73972 14.6255 11.3136 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 6.41575 4.97119 4.64838 6.01808 5.14627 7.82528 6.20943 10.2708 5.82366 numMergedOcc 0
9 mol 19 unq 4 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 6.41575 4.97119 6.01808 4.64838 5.14627 7.82528 10.2708 6.20943 5.82366 numMergedOcc 0
10 mol 19 unq 5 iso 0 dist 7.82074 8.4674 10.3915 4.54938 5.03957 7.67038 6.41575 6.01808 4.64838 4.97119 6.55187 8.73972 14.6255 8.23643 11.3136 numMergedOcc 0
11 mol 19 unq 5 iso 1 dist 7.82074 4.54938 5.03957 8.4674 10.3915 7.67038 6.41575 6.01808 4.97119 4.64838 6.55187 8.73972 8.23643 14.6255 11.3136 numMergedOcc 0
12 mol 19 unq 6 iso 0 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 7.75618 7.08342 4.96411 9.74255 5.5841 8.58657 9.80108 9.58539 7.02548 numMergedOcc 0
13 mol 19 unq 6 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 7.75618 7.08342 9.74255 4.96411 5.5841 8.58657 9.58539 9.80108 7.02548 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 7.32874 6.81627 5.47421 9.55426 5.90225 9.7274 7.21955 7.12541 7.09066 5.74871 6.75888 6.40841 10.335 6.31428 8.71468 numMergedOcc 0
15 mol 58 unq 0 iso 1 dist 7.32874 9.55426 5.90225 6.81627 5.47421 9.7274 7.21955 7.12541 5.74871 7.09066 6.75888 6.40841 6.31428 10.335 8.71468 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 6.86465 6.62496 5.30792 6.35756 5.35073 4.81926 8.80614 10.2049 9.95364 5.49591 6.47744 8.63333 11.5023 8.89374 9.11258 numMergedOcc 0
17 mol 58 unq 1 iso 1 dist 6.86465 6.35756 5.35073 6.62496 5.30792 4.81926 8.80614 10.2049 5.49591 9.95364 6.47744 8.63333 8.89374 11.5023 9.11258 numMergedOcc 0
18 mol 58 unq 2 iso 0 dist 6.62496 6.86465 5.30792 6.35756 4.81926 5.35073 8.80614 9.95364 10.2049 5.49591 4.67832 9.64665 11.4118 9.66798 10.4309 numMergedOcc 0
19 mol 58 unq 2 iso 1 dist 6.62496 6.35756 4.81926 6.86465 5.30792 5.35073 8.80614 9.95364 5.49591 10.2049 4.67832 9.64665 9.66798 11.4118 10.4309 numMergedOcc 0
20 mol 58 unq 3 iso 0 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 8.80614 5.49591 10.2049 9.95364 6.47744 8.89374 8.63333 11.5023 9.11258 numMergedOcc 0
21 mol 58 unq 3 iso 1 dist 6.35756 6.62496 4.81926 6.86465 5.35073 5.30792 8.80614 5.49591 9.95364 10.2049 6.47744 8.89374 11.5023 8.63333 9.11258 numMergedOcc 0
22 mol 58 unq 4 iso 0 dist 9.55426 6.81627 9.7274 7.32874 5.90225 5.47421 7.21955 5.74871 7.09066 7.12541 13.1021 9.73139 15.9764 10.9482 14.2645 numMergedOcc 0
23 mol 58 unq 4 iso 1 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 7.21955 5.74871 7.12541 7.09066 13.1021 9.73139 10.9482 15.9764 14.2645 numMergedOcc 0
24 mol 58 unq 5 iso 0 dist 9.55426 6.81627 9.7274 7.32874 5.90225 5.47421 7.21955 5.74871 7.09066 7.12541 6.75888 6.31428 10.335 6.40841 8.71468 numMergedOcc 0
25 mol 58 unq 5 iso 1 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 7.21955 5.74871 7.12541 7.09066 6.75888 6.31428 6.40841 10.335 8.71468 numMergedOcc 0
26 mol 59 unq 0 iso 0 dist 7.71095 8.84665 12.5396 8.25513 8.19458 6.40295 6.73347 9.64444 4.36133 6.66692 5.33688 6.71911 12.8699 11.6249 9.2902 numMergedOcc 0
27 mol 59 unq 0 iso 1 dist 7.71095 8.25513 8.19458 8.84665 12.5396 6.40295 6.73347 9.64444 6.66692 4.36133 5.33688 6.71911 11.6249 12.8699 9.2902 numMergedOcc 0
28 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 9.24757 5.11416 6.56633 15.3808 7.41074 8.70133 4.65521 15.9587 7.10439 numMergedOcc 0
29 mol 73 unq 0 iso 1 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 9.24757 5.11416 15.3808 6.56633 7.41074 8.70133 15.9587 4.65521 7.10439 numMergedOcc 0
30 mol 73 unq 1 iso 0 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 9.24757 6.56633 5.11416 15.3808 7.41074 4.65521 8.70133 15.9587 7.10439 numMergedOcc 0
31 mol 73 unq 1 iso 1 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 9.24757 6.56633 15.3808 5.11416 7.41074 4.65521 15.9587 8.70133 7.10439 numMergedOcc 0
32 mol 85 unq 0 iso 0 dist 6.19965 7.95579 4.26409 7.66905 6.9948 10.7229 7.54568 8.09967 10.2865 4.65335 11.6116 9.47876 13.6587 7.22293 11.8261 numMergedOcc 0
33 mol 85 unq 0 iso 1 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 7.54568 8.09967 4.65335 10.2865 11.6116 9.47876 7.22293 13.6587 11.8261 numMergedOcc 0
34 mol 85 unq 1 iso 0 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 7.54568 4.65335 10.2865 8.09967 11.6116 7.22293 13.6587 9.47876 11.8261 numMergedOcc 0
35 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 7.54568 4.65335 8.09967 10.2865 11.6116 7.22293 9.47876 13.6587 11.8261 numMergedOcc 0
36 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 7.38135 11.2312 7.11701 7.79768 15.209 7.75343 11.8016 15.6924 18.081 numMergedOcc 0
37 mol 100 unq 0 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 7.38135 11.2312 7.79768 7.11701 15.209 7.75343 15.6924 11.8016 18.081 numMergedOcc 0
38 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 8.30845 12.2861 5.80144 10.0456 10.1589 8.72704 10.5193 15.8984 9.44658 numMergedOcc 0
39 mol 100 unq 1 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 8.30845 12.2861 10.0456 5.80144 10.1589 8.72704 15.8984 10.5193 9.44658 numMergedOcc 0
40 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 8.76378 15.5385 12.3577 4.97045 10.1589 8.72704 10.5193 15.8984 18.5425 numMergedOcc 0
41 mol 100 unq 2 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 8.76378 15.5385 4.97045 12.3577 10.1589 8.72704 15.8984 10.5193 18.5425 numMergedOcc 0
42 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 8.30845 12.2861 5.80144 6.70236 10.1589 8.72704 10.5193 14.8726 9.44658 numMergedOcc 0
43 mol 100 unq 3 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 8.30845 12.2861 6.70236 5.80144 10.1589 8.72704 14.8726 10.5193 9.44658 numMergedOcc 0
44 mol 100 unq 4 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 8.76378 15.5385 12.3577 10.7791 10.1589 8.72704 10.5193 14.8726 18.5425 numMergedOcc 0
45 mol 100 unq 4 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 8.76378 15.5385 10.7791 12.3577 10.1589 8.72704 14.8726 10.5193 18.5425 numMergedOcc 0
46 mol 100 unq 3 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 8.30845 12.2861 10.0456 6.70236 10.1589 8.72704 15.8984 14.8726 9.44658 numMergedOcc 0
47 mol 100 unq 3 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 8.30845 12.2861 6.70236 10.0456 10.1589 8.72704 14.8726 15.8984 9.44658 numMergedOcc 0
48 mol 100 unq 4 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 8.76378 15.5385 4.97045 10.7791 10.1589 8.72704 15.8984 14.8726 18.5425 numMergedOcc 0
49 mol 100 unq 4 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 8.76378 15.5385 10.7791 4.97045 10.1589 8.72704 14.8726 15.8984 18.5425 numMergedOcc 0
50 mol 131 unq 0 iso 0 dist 7.12972 8.40312 5.55373 6.85062 6.63273 10.7062 9.90168 8.23791 7.7567 13.7237 6.19596 8.6243 12.5969 6.91348 11.4282 numMergedOcc 0
51 mol 131 unq 0 iso 1 dist 7.12972 6.85062 6.63273 8.40312 5.55373 10.7062 9.90168 8.23791 13.7237 7.7567 6.19596 8.6243 6.91348 12.5969 11.4282 numMergedOcc 0
52 mol 131 unq 1 iso 0 dist 6.85062 8.40312 10.7062 7.12972 6.63273 5.55373 9.90168 13.7237 7.7567 8.23791 6.19596 6.91348 12.5969 8.6243 11.4282 numMergedOcc 0
53 mol 131 unq 1 iso 1 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 9.90168 13.7237 8.23791 7.7567 6.19596 6.91348 8.6243 12.5969 11.4282 numMergedOcc 0
54 mol 131 unq 2 iso 0 dist 6.85062 8.40312 10.7062 7.12972 6.63273 5.55373 9.90168 13.7237 7.7567 8.23791 6.6499 9.51418 13.6559 12.9472 16.3398 numMergedOcc 0
55 mol 131 unq 2 iso 1 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 9.90168 13.7237 8.23791 7.7567 6.6499 9.51418 12.9472 13.6559 16.3398 numMergedOcc 0
56 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 6.23142 4.57832 5.29786 5.71679 5.41704 8.79571 5.42582 8.6355 8.73604 numMergedOcc 0
57 mol 134 unq 0 iso 1 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 6.23142 4.57832 5.71679 5.29786 5.41704 8.79571 8.6355 5.42582 8.73604 numMergedOcc 0
58 mol 134 unq 1 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 6.23142 5.29786 4.57832 5.71679 5.41704 5.42582 8.79571 8.6355 8.73604 numMergedOcc 0
59 mol 134 unq 1 iso 1 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 6.23142 5.29786 5.71679 4.57832 5.41704 5.42582 8.6355 8.79571 8.73604 numMergedOcc 0
60 mol 134 unq 2 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 6.23142 5.71679 4.57832 5.29786 5.41704 8.6355 8.79571 5.42582 8.73604 numMergedOcc 0
61 mol 134 unq 2 iso 1 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 6.23142 5.71679 5.29786 4.57832 5.41704 8.6355 5.42582 8.79571 8.73604 numMergedOcc 0
62 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 9.83699 8.38403 11.2719 9.4013 5.71511 6.13574 5.80008 6.29785 9.36805 13.1853 7.55203 10.735 numMergedOcc 0
63 mol 156 unq 0 iso 1 dist 7.44554 9.83699 8.38403 8.94056 5.56175 11.2719 9.4013 5.71511 5.80008 6.13574 6.29785 9.36805 7.55203 13.1853 10.735 numMergedOcc 0
64 mol 156 unq 1 iso 0 dist 9.83699 7.44554 8.38403 8.94056 11.2719 5.56175 9.4013 5.80008 5.71511 6.13574 6.29785 7.55203 9.36805 13.1853 10.735 numMergedOcc 0
65 mol 156 unq 1 iso 1 dist 9.83699 8.94056 11.2719 7.44554 8.38403 5.56175 9.4013 5.80008 6.13574 5.71511 6.29785 7.55203 13.1853 9.36805 10.735 numMergedOcc 0
66 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 8.90963 9.81073 8.91338 9.34211 5.4601 7.20046 10.2276 11.968 13.6646 numMergedOcc 0
67 mol 181 unq 0 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 8.90963 9.81073 9.34211 8.91338 5.4601 7.20046 11.968 10.2276 13.6646 numMergedOcc 0
68 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 8.90963 9.81073 8.91338 9.34211 10.0524 7.13543 10.7636 11.8099 15.9219 numMergedOcc 0
69 mol 181 unq 1 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 8.90963 9.81073 9.34211 8.91338 10.0524 7.13543 11.8099 10.7636 15.9219 numMergedOcc 0
70 mol 181 unq 2 iso 0 dist 9.15386 9.1374 12.1628 5.98885 5.16002 8.88798 8.90963 9.34211 8.91338 9.81073 8.25067 9.6668 13.2702 10.8351 5.95304 numMergedOcc 0
71 mol 181 unq 2 iso 1 dist 9.15386 5.98885 5.16002 9.1374 12.1628 8.88798 8.90963 9.34211 9.81073 8.91338 8.25067 9.6668 10.8351 13.2702 5.95304 numMergedOcc 0
72 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 7.43071 6.35849 6.00424 10.204 6.43754 8.17891 12.4085 6.95902 12.2922 numMergedOcc 0
73 mol 227 unq 0 iso 1 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 7.43071 6.35849 10.204 6.00424 6.43754 8.17891 6.95902 12.4085 12.2922 numMergedOcc 0
74 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 5.41321 10.9607 10.7656 9.72615 6.43754 8.17891 12.4085 6.95902 7.57454 numMergedOcc 0
75 mol 227 unq 1 iso 1 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 5.41321 10.9607 9.72615 10.7656 6.43754 8.17891 6.95902 12.4085 7.57454 numMergedOcc 0
76 mol 227 unq 2 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 7.43071 6.35849 6.00424 9.76735 6.43754 8.17891 12.4085 11.004 12.2922 numMergedOcc 0
77 mol 227 unq 2 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 7.43071 6.35849 9.76735 6.00424 6.43754 8.17891 11.004 12.4085 12.2922 numMergedOcc 0
78 mol 227 unq 3 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 5.41321 10.9607 10.7656 5.10635 6.43754 8.17891 12.4085 11.004 7.57454 numMergedOcc 0
79 mol 227 unq 3 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 5.41321 10.9607 5.10635 10.7656 6.43754 8.17891 11.004 12.4085 7.57454 numMergedOcc 0
80 mol 227 unq 4 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 7.43071 6.35849 6.00424 9.32448 6.43754 8.17891 12.4085 12.8864 12.2922 numMergedOcc 0
81 mol 227 unq 4 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 7.43071 6.35849 9.32448 6.00424 6.43754 8.17891 12.8864 12.4085 12.2922 numMergedOcc 0
82 mol 227 unq 5 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 5.41321 10.9607 10.7656 6.48027 6.43754 8.17891 12.4085 12.8864 7.57454 numMergedOcc 0
83 mol 227 unq 5 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 5.41321 10.9607 6.48027 10.7656 6.43754 8.17891 12.8864 12.4085 7.57454 numMergedOcc 0
84 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 7.43071 6.35849 10.204 9.76735 6.43754 8.17891 6.95902 11.004 12.2922 numMergedOcc 0
85 mol 227 unq 2 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 7.43071 6.35849 9.76735 10.204 6.43754 8.17891 11.004 6.95902 12.2922 numMergedOcc 0
86 mol 227 unq 3 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 5.41321 10.9607 9.72615 5.10635 6.43754 8.17891 6.95902 11.004 7.57454 numMergedOcc 0
87 mol 227 unq 3 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 5.41321 10.9607 5.10635 9.72615 6.43754 8.17891 11.004 6.95902 7.57454 numMergedOcc 0
88 mol 227 unq 4 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 7.43071 6.35849 10.204 9.32448 6.43754 8.17891 6.95902 12.8864 12.2922 numMergedOcc 0
89 mol 227 unq 4 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 7.43071 6.35849 9.32448 10.204 6.43754 8.17891 12.8864 6.95902 12.2922 numMergedOcc 0
90 mol 227 unq 5 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 5.41321 10.9607 9.72615 6.48027 6.43754 8.17891 6.95902 12.8864 7.57454 numMergedOcc 0
91 mol 227 unq 5 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 5.41321 10.9607 6.48027 9.72615 6.43754 8.17891 12.8864 6.95902 7.57454 numMergedOcc 0
92 mol 227 unq 4 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 7.43071 6.35849 9.76735 9.32448 6.43754 8.17891 11.004 12.8864 12.2922 numMergedOcc 0
93 mol 227 unq 4 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 7.43071 6.35849 9.32448 9.76735 6.43754 8.17891 12.8864 11.004 12.2922 numMergedOcc 0
94 mol 227 unq 5 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 5.41321 10.9607 5.10635 6.48027 6.43754 8.17891 11.004 12.8864 7.57454 numMergedOcc 0
95 mol 227 unq 5 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 5.41321 10.9607 6.48027 5.10635 6.43754 8.17891 12.8864 11.004 7.57454 numMergedOcc 0
96 mol 227 unq 6 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 7.43071 10.204 6.00424 6.35849 14.6185 9.62609 17.0949 13.4493 19.0662 numMergedOcc 0
97 mol 227 unq 6 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 7.43071 10.204 6.35849 6.00424 14.6185 9.62609 13.4493 17.0949 19.0662 numMergedOcc 0
98 mol 227 unq 7 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 7.43071 10.204 6.00424 6.35849 6.43754 6.95902 12.4085 8.17891 12.2922 numMergedOcc 0
99 mol 227 unq 7 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 7.43071 10.204 6.35849 6.00424 6.43754 6.95902 8.17891 12.4085 12.2922 numMergedOcc 0
100 mol 227 unq 8 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 5.41321 9.72615 10.7656 10.9607 14.6185 9.62609 17.0949 13.4493 14.0608 numMergedOcc 0
101 mol 227 unq 8 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 5.41321 9.72615 10.9607 10.7656 14.6185 9.62609 13.4493 17.0949 14.0608 numMergedOcc 0
102 mol 227 unq 9 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 5.41321 9.72615 10.7656 10.9607 6.43754 6.95902 12.4085 8.17891 7.57454 numMergedOcc 0
103 mol 227 unq 9 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 5.41321 9.72615 10.9607 10.7656 6.43754 6.95902 8.17891 12.4085 7.57454 numMergedOcc 0
104 mol 227 unq 10 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 7.43071 10.204 6.00424 9.76735 14.6185 9.62609 17.0949 16.5207 19.0662 numMergedOcc 0
105 mol 227 unq 10 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 7.43071 10.204 9.76735 6.00424 14.6185 9.62609 16.5207 17.0949 19.0662 numMergedOcc 0
106 mol 227 unq 11 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 7.43071 10.204 6.00424 9.76735 6.43754 6.95902 12.4085 11.004 12.2922 numMergedOcc 0
107 mol 227 unq 11 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 7.43071 10.204 9.76735 6.00424 6.43754 6.95902 11.004 12.4085 12.2922 numMergedOcc 0
108 mol 227 unq 12 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 5.41321 9.72615 10.7656 5.10635 14.6185 9.62609 17.0949 16.5207 14.0608 numMergedOcc 0
109 mol 227 unq 12 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 5.41321 9.72615 5.10635 10.7656 14.6185 9.62609 16.5207 17.0949 14.0608 numMergedOcc 0
110 mol 227 unq 13 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 5.41321 9.72615 10.7656 5.10635 6.43754 6.95902 12.4085 11.004 7.57454 numMergedOcc 0
111 mol 227 unq 13 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 5.41321 9.72615 5.10635 10.7656 6.43754 6.95902 11.004 12.4085 7.57454 numMergedOcc 0
112 mol 227 unq 14 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 7.43071 10.204 6.00424 9.32448 14.6185 9.62609 17.0949 19.8174 19.0662 numMergedOcc 0
113 mol 227 unq 14 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 7.43071 10.204 9.32448 6.00424 14.6185 9.62609 19.8174 17.0949 19.0662 numMergedOcc 0
114 mol 227 unq 15 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 7.43071 10.204 6.00424 9.32448 6.43754 6.95902 12.4085 12.8864 12.2922 numMergedOcc 0
115 mol 227 unq 15 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 7.43071 10.204 9.32448 6.00424 6.43754 6.95902 12.8864 12.4085 12.2922 numMergedOcc 0
116 mol 227 unq 16 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 5.41321 9.72615 10.7656 6.48027 14.6185 9.62609 17.0949 19.8174 14.0608 numMergedOcc 0
117 mol 227 unq 16 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 5.41321 9.72615 6.48027 10.7656 14.6185 9.62609 19.8174 17.0949 14.0608 numMergedOcc 0
118 mol 227 unq 17 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 5.41321 9.72615 10.7656 6.48027 6.43754 6.95902 12.4085 12.8864 7.57454 numMergedOcc 0
119 mol 227 unq 17 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 5.41321 9.72615 6.48027 10.7656 6.43754 6.95902 12.8864 12.4085 7.57454 numMergedOcc 0
120 mol 227 unq 10 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 7.43071 10.204 6.35849 9.76735 14.6185 9.62609 13.4493 16.5207 19.0662 numMergedOcc 0
121 mol 227 unq 10 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 7.43071 10.204 9.76735 6.35849 14.6185 9.62609 16.5207 13.4493 19.0662 numMergedOcc 0
122 mol 227 unq 11 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 7.43071 10.204 6.35849 9.76735 6.43754 6.95902 8.17891 11.004 12.2922 numMergedOcc 0
123 mol 227 unq 11 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 7.43071 10.204 9.76735 6.35849 6.43754 6.95902 11.004 8.17891 12.2922 numMergedOcc 0
124 mol 227 unq 12 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 5.41321 9.72615 10.9607 5.10635 14.6185 9.62609 13.4493 16.5207 14.0608 numMergedOcc 0
125 mol 227 unq 12 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 5.41321 9.72615 5.10635 10.9607 14.6185 9.62609 16.5207 13.4493 14.0608 numMergedOcc 0
126 mol 227 unq 13 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 5.41321 9.72615 10.9607 5.10635 6.43754 6.95902 8.17891 11.004 7.57454 numMergedOcc 0
127 mol 227 unq 13 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 5.41321 9.72615 5.10635 10.9607 6.43754 6.95902 11.004 8.17891 7.57454 numMergedOcc 0
128 mol 227 unq 14 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 7.43071 10.204 6.35849 9.32448 14.6185 9.62609 13.4493 19.8174 19.0662 numMergedOcc 0
129 mol 227 unq 14 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 7.43071 10.204 9.32448 6.35849 14.6185 9.62609 19.8174 13.4493 19.0662 numMergedOcc 0
130 mol 227 unq 15 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 7.43071 10.204 6.35849 9.32448 6.43754 6.95902 8.17891 12.8864 12.2922 numMergedOcc 0
131 mol 227 unq 15 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 7.43071 10.204 9.32448 6.35849 6.43754 6.95902 12.8864 8.17891 12.2922 numMergedOcc 0
132 mol 227 unq 16 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 5.41321 9.72615 10.9607 6.48027 14.6185 9.62609 13.4493 19.8174 14.0608 numMergedOcc 0
133 mol 227 unq 16 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 5.41321 9.72615 6.48027 10.9607 14.6185 9.62609 19.8174 13.4493 14.0608 numMergedOcc 0
134 mol 227 unq 17 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 5.41321 9.72615 10.9607 6.48027 6.43754 6.95902 8.17891 12.8864 7.57454 numMergedOcc 0
135 mol 227 unq 17 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 5.41321 9.72615 6.48027 10.9607 6.43754 6.95902 12.8864 8.17891 7.57454 numMergedOcc 0
136 mol 227 unq 14 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 7.43071 10.204 9.76735 9.32448 14.6185 9.62609 16.5207 19.8174 19.0662 numMergedOcc 0
137 mol 227 unq 14 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 7.43071 10.204 9.32448 9.76735 14.6185 9.62609 19.8174 16.5207 19.0662 numMergedOcc 0
138 mol 227 unq 15 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 7.43071 10.204 9.76735 9.32448 6.43754 6.95902 11.004 12.8864 12.2922 numMergedOcc 0
139 mol 227 unq 15 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 7.43071 10.204 9.32448 9.76735 6.43754 6.95902 12.8864 11.004 12.2922 numMergedOcc 0
140 mol 227 unq 16 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 5.41321 9.72615 5.10635 6.48027 14.6185 9.62609 16.5207 19.8174 14.0608 numMergedOcc 0
141 mol 227 unq 16 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 5.41321 9.72615 6.48027 5.10635 14.6185 9.62609 19.8174 16.5207 14.0608 numMergedOcc 0
142 mol 227 unq 17 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 5.41321 9.72615 5.10635 6.48027 6.43754 6.95902 11.004 12.8864 7.57454 numMergedOcc 0
143 mol 227 unq 17 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 5.41321 9.72615 6.48027 5.10635 6.43754 6.95902 12.8864 11.004 7.57454 numMergedOcc 0
144 mol 227 unq 18 iso 0 dist 7.55216 9.34734 9.51866 7.22101 12.4689 6.99063 7.43071 9.32448 6.00424 6.35849 11.662 8.83563 14.4583 15.9414 10.4957 numMergedOcc 0
145 mol 227 unq 18 iso 1 dist 7.55216 7.22101 12.4689 9.34734 9.51866 6.99063 7.43071 9.32448 6.35849 6.00424 11.662 8.83563 15.9414 14.4583 10.4957 numMergedOcc 0
146 mol 227 unq 19 iso 0 dist 7.55216 9.34734 9.51866 7.22101 12.4689 6.99063 5.41321 6.48027 10.7656 10.9607 11.662 8.83563 14.4583 15.9414 13.792 numMergedOcc 0
147 mol 227 unq 19 iso 1 dist 7.55216 7.22101 12.4689 9.34734 9.51866 6.99063 5.41321 6.48027 10.9607 10.7656 11.662 8.83563 15.9414 14.4583 13.792 numMergedOcc 0
148 mol 227 unq 20 iso 0 dist 7.55216 9.34734 9.51866 8.65997 12.9332 7.60506 7.43071 9.32448 6.00424 10.204 11.662 8.83563 14.4583 18.8667 10.4957 numMergedOcc 0
149 mol 227 unq 20 iso 1 dist 7.55216 8.65997 12.9332 9.34734 9.51866 7.60506 7.43071 9.32448 10.204 6.00424 11.662 8.83563 18.8667 14.4583 10.4957 numMergedOcc 0
150 mol 227 unq 21 iso 0 dist 7.55216 9.34734 9.51866 8.65997 12.9332 7.60506 5.41321 6.48027 10.7656 9.72615 11.662 8.83563 14.4583 18.8667 13.792 numMergedOcc 0
151 mol 227 unq 21 iso 1 dist 7.55216 8.65997 12.9332 9.34734 9.51866 7.60506 5.41321 6.48027 9.72615 10.7656 11.662 8.83563 18.8667 14.4583 13.792 numMergedOcc 0
152 mol 227 unq 22 iso 0 dist 7.55216 9.34734 9.51866 7.56888 4.48529 7.43198 7.43071 9.32448 6.00424 9.76735 11.662 8.83563 14.4583 12.9801 10.4957 numMergedOcc 0
153 mol 227 unq 22 iso 1 dist 7.55216 7.56888 4.48529 9.34734 9.51866 7.43198 7.43071 9.32448 9.76735 6.00424 11.662 8.83563 12.9801 14.4583 10.4957 numMergedOcc 0
154 mol 227 unq 23 iso 0 dist 7.55216 9.34734 9.51866 7.56888 4.48529 7.43198 5.41321 6.48027 10.7656 5.10635 11.662 8.83563 14.4583 12.9801 13.792 numMergedOcc 0
155 mol 227 unq 23 iso 1 dist 7.55216 7.56888 4.48529 9.34734 9.51866 7.43198 5.41321 6.48027 5.10635 10.7656 11.662 8.83563 12.9801 14.4583 13.792 numMergedOcc 0
156 mol 227 unq 20 iso 0 dist 7.55216 7.22101 12.4689 8.65997 12.9332 5.22356 7.43071 9.32448 6.35849 10.204 11.662 8.83563 15.9414 18.8667 10.4957 numMergedOcc 0
157 mol 227 unq 20 iso 1 dist 7.55216 8.65997 12.9332 7.22101 12.4689 5.22356 7.43071 9.32448 10.204 6.35849 11.662 8.83563 18.8667 15.9414 10.4957 numMergedOcc 0
158 mol 227 unq 21 iso 0 dist 7.55216 7.22101 12.4689 8.65997 12.9332 5.22356 5.41321 6.48027 10.9607 9.72615 11.662 8.83563 15.9414 18.8667 13.792 numMergedOcc 0
159 mol 227 unq 21 iso 1 dist 7.55216 8.65997 12.9332 7.22101 12.4689 5.22356 5.41321 6.48027 9.72615 10.9607 11.662 8.83563 18.8667 15.9414 13.792 numMergedOcc 0
160 mol 227 unq 22 iso 0 dist 7.55216 7.22101 12.4689 7.56888 4.48529 10.8658 7.43071 9.32448 6.35849 9.76735 11.662 8.83563 15.9414 12.9801 10.4957 numMergedOcc 0
161 mol 227 unq 22 iso 1 dist 7.55216 7.56888 4.48529 7.22101 12.4689 10.8658 7.43071 9.32448 9.76735 6.35849 11.662 8.83563 12.9801 15.9414 10.4957 numMergedOcc 0
162 mol 227 unq 23 iso 0 dist 7.55216 7.22101 12.4689 7.56888 4.48529 10.8658 5.41321 6.48027 10.9607 5.10635 11.662 8.83563 15.9414 12.9801 13.792 numMergedOcc 0
163 mol 227 unq 23 iso 1 dist 7.55216 7.56888 4.48529 7.22101 12.4689 10.8658 5.41321 6.48027 5.10635 10.9607 11.662 8.83563 12.9801 15.9414 13.792 numMergedOcc 0
164 mol 227 unq 22 iso 0 dist 7.55216 8.65997 12.9332 7.56888 4.48529 9.70012 7.43071 9.32448 10.204 9.76735 11.662 8.83563 18.8667 12.9801 10.4957 numMergedOcc 0
165 mol 227 unq 22 iso 1 dist 7.55216 7.56888 4.48529 8.65997 12.9332 9.70012 7.43071 9.32448 9.76735 10.204 11.662 8.83563 12.9801 18.8667 10.4957 numMergedOcc 0
166 mol 227 unq 23 iso 0 dist 7.55216 8.65997 12.9332 7.56888 4.48529 9.70012 5.41321 6.48027 9.72615 5.10635 11.662 8.83563 18.8667 12.9801 13.792 numMergedOcc 0
167 mol 227 unq 23 iso 1 dist 7.55216 7.56888 4.48529 8.65997 12.9332 9.70012 5.41321 6.48027 5.10635 9.72615 11.662 8.83563 12.9801 18.8667 13.792 numMergedOcc 0
168 mol 282 unq 0 iso 0 dist 8.04483 8.76532 10.0156 6.33524 5.39891 4.66602 9.0975 5.65568 8.12478 5.0324 6.3384 6.85028 10.4802 7.32347 11.0343 numMergedOcc 0
169 mol 282 unq 0 iso 1 dist 8.04483 6.33524 5.39891 8.76532 10.0156 4.66602 9.0975 5.65568 5.0324 8.12478 6.3384 6.85028 7.32347 10.4802 11.0343 numMergedOcc 0
170 mol 282 unq 1 iso 0 dist 6.33524 8.04483 5.39891 8.76532 4.66602 10.0156 9.0975 5.0324 5.65568 8.12478 6.3384 7.32347 6.85028 10.4802 11.0343 numMergedOcc 0
171 mol 282 unq 1 iso 1 dist 6.33524 8.76532 4.66602 8.04483 5.39891 10.0156 9.0975 5.0324 8.12478 5.65568 6.3384 7.32347 10.4802 6.85028 11.0343 numMergedOcc 0
