0 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 6.93532 5.30082 10.4366 6.2983 7.03948 5.47769 11.7521 10.9143 10.7015 5.32694 15.1671 6.58035 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.31718 5.05803 6.92781 6.93532 10.4366 5.30082 6.2983 5.47769 7.03948 11.7521 10.9143 5.32694 10.7015 15.1671 6.58035 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 7.75618 4.96411 9.74255 5.5841 9.80108 9.58539 7.02548 6.864 7.07775 5.80928 7.08342 8.58657 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 6.41575 4.64838 4.97119 5.14627 6.20943 7.82528 5.82366 9.78944 7.83352 10.8007 6.42867 6.00439 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 8.4674 7.82074 10.3915 6.41575 4.64838 6.01808 5.14627 6.20943 10.2708 5.82366 9.78944 7.83352 10.6598 6.42867 6.00439 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 8.4674 7.82074 10.3915 6.41575 4.64838 6.01808 5.14627 6.20943 10.2708 5.82366 4.54938 7.67038 5.03957 4.97119 7.82528 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 4.54938 8.4674 7.67038 6.41575 4.97119 4.64838 6.55187 8.23643 14.6255 11.3136 7.82074 5.03957 10.3915 6.01808 8.73972 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 4.54938 8.4674 7.67038 6.41575 4.97119 4.64838 5.14627 7.82528 6.20943 5.82366 9.78944 10.8007 7.83352 6.42867 6.00439 numMergedOcc 0
8 mol 19 unq 6 iso 0 dist 4.54938 7.82074 5.03957 6.41575 4.97119 6.01808 5.14627 7.82528 10.2708 5.82366 9.78944 10.8007 10.6598 6.42867 6.00439 numMergedOcc 0
9 mol 19 unq 7 iso 0 dist 4.54938 7.82074 5.03957 6.41575 4.97119 6.01808 5.14627 7.82528 10.2708 5.82366 8.4674 7.67038 10.3915 4.64838 6.20943 numMergedOcc 0
10 mol 19 unq 8 iso 0 dist 7.82074 8.4674 10.3915 6.41575 6.01808 4.64838 6.55187 8.73972 14.6255 11.3136 4.54938 5.03957 7.67038 4.97119 8.23643 numMergedOcc 0
11 mol 19 unq 9 iso 0 dist 4.51865 8.4674 5.80928 8.40416 7.08342 9.74255 6.74265 8.58657 9.58539 7.02548 10.4091 7.07775 7.34551 4.96411 9.80108 numMergedOcc 0
12 mol 19 unq 10 iso 0 dist 4.51865 6.864 7.67038 6.41423 4.64838 4.97119 4.69858 6.20943 7.82528 5.82366 9.56313 7.83352 10.8007 6.42867 6.00439 numMergedOcc 0
13 mol 19 unq 11 iso 0 dist 6.864 4.54938 5.80928 7.75618 7.08342 9.74255 5.5841 8.58657 9.58539 7.02548 7.20519 7.07775 7.34551 4.96411 9.80108 numMergedOcc 0
14 mol 19 unq 12 iso 0 dist 6.864 4.51865 7.67038 6.41423 4.97119 4.64838 12.3093 8.23643 14.6255 11.3136 11.0366 5.03957 10.3915 6.01808 8.73972 numMergedOcc 0
15 mol 19 unq 13 iso 0 dist 6.864 4.51865 7.67038 6.41423 4.97119 4.64838 4.69858 7.82528 6.20943 5.82366 9.56313 10.8007 7.83352 6.42867 6.00439 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 7.32874 6.81627 5.47421 7.21955 7.12541 7.09066 6.75888 6.40841 10.335 8.71468 13.4544 11.0466 15.6564 11.387 7.58407 numMergedOcc 0
17 mol 58 unq 1 iso 0 dist 7.32874 6.81627 5.47421 7.21955 7.12541 7.09066 6.75888 6.40841 10.335 8.71468 9.55426 5.90225 9.7274 5.74871 6.31428 numMergedOcc 0
18 mol 58 unq 2 iso 0 dist 7.32874 9.55426 5.90225 7.21955 7.12541 5.74871 6.75888 6.40841 6.31428 8.71468 13.4544 11.0466 6.47414 11.387 7.58407 numMergedOcc 0
19 mol 58 unq 3 iso 0 dist 6.86465 6.62496 5.30792 8.80614 10.2049 9.95364 6.47744 8.63333 11.5023 9.11258 6.35756 5.35073 4.81926 5.49591 8.89374 numMergedOcc 0
20 mol 58 unq 4 iso 0 dist 6.86465 6.62496 5.30792 8.80614 10.2049 9.95364 6.47744 8.63333 11.5023 9.11258 10.3224 10.8153 13.1243 5.85698 6.46761 numMergedOcc 0
21 mol 58 unq 5 iso 0 dist 6.86465 6.62496 5.30792 8.80614 10.2049 9.95364 6.47744 8.63333 11.5023 9.11258 15.4557 14.5953 18.3276 12.2123 9.73139 numMergedOcc 0
22 mol 58 unq 6 iso 0 dist 6.86465 6.35756 5.35073 8.80614 10.2049 5.49591 6.47744 8.63333 8.89374 9.11258 10.3224 10.8153 8.62958 5.85698 6.46761 numMergedOcc 0
23 mol 58 unq 7 iso 0 dist 6.86465 6.35756 5.35073 8.80614 10.2049 5.49591 6.47744 8.63333 8.89374 9.11258 15.4557 14.5953 14.176 12.2123 9.73139 numMergedOcc 0
24 mol 58 unq 8 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 6.47744 8.89374 8.63333 9.11258 10.3224 8.62958 10.8153 5.85698 6.46761 numMergedOcc 0
25 mol 58 unq 9 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 6.47744 8.89374 8.63333 9.11258 15.4557 14.176 14.5953 12.2123 9.73139 numMergedOcc 0
26 mol 58 unq 10 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 6.47744 8.89374 11.5023 9.11258 6.86465 5.35073 5.30792 10.2049 8.63333 numMergedOcc 0
27 mol 58 unq 11 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 6.47744 8.89374 11.5023 9.11258 10.3224 8.62958 13.1243 5.85698 6.46761 numMergedOcc 0
28 mol 58 unq 12 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 6.47744 8.89374 11.5023 9.11258 15.4557 14.176 18.3276 12.2123 9.73139 numMergedOcc 0
29 mol 58 unq 13 iso 0 dist 9.55426 6.81627 9.7274 7.21955 5.74871 7.09066 13.1021 9.73139 15.9764 14.2645 20.7459 14.5953 21.6158 20.2165 8.63333 numMergedOcc 0
30 mol 58 unq 14 iso 0 dist 9.55426 6.81627 9.7274 7.21955 5.74871 7.09066 13.1021 9.73139 15.9764 14.2645 20.984 14.176 22.7659 19.69 8.89374 numMergedOcc 0
31 mol 58 unq 15 iso 0 dist 9.55426 6.81627 9.7274 7.21955 5.74871 7.09066 13.1021 9.73139 15.9764 14.2645 13.4544 6.47414 15.6564 11.387 6.46761 numMergedOcc 0
32 mol 58 unq 16 iso 0 dist 9.55426 6.81627 9.7274 7.21955 5.74871 7.09066 6.75888 6.31428 10.335 8.71468 7.32874 5.90225 5.47421 7.12541 6.40841 numMergedOcc 0
33 mol 58 unq 17 iso 0 dist 9.55426 6.81627 9.7274 7.21955 5.74871 7.09066 6.75888 6.31428 10.335 8.71468 13.4544 6.47414 15.6564 11.387 7.58407 numMergedOcc 0
34 mol 58 unq 18 iso 0 dist 9.55426 7.32874 5.90225 7.21955 5.74871 7.12541 13.1021 9.73139 10.9482 14.2645 20.7459 14.5953 16.1448 20.2165 8.63333 numMergedOcc 0
35 mol 58 unq 19 iso 0 dist 9.55426 7.32874 5.90225 7.21955 5.74871 7.12541 13.1021 9.73139 10.9482 14.2645 20.984 14.176 17.446 19.69 8.89374 numMergedOcc 0
36 mol 58 unq 20 iso 0 dist 9.55426 7.32874 5.90225 7.21955 5.74871 7.12541 13.1021 9.73139 10.9482 14.2645 13.4544 6.47414 11.0466 11.387 6.46761 numMergedOcc 0
37 mol 58 unq 21 iso 0 dist 9.55426 7.32874 5.90225 7.21955 5.74871 7.12541 6.75888 6.31428 6.40841 8.71468 13.4544 6.47414 11.0466 11.387 7.58407 numMergedOcc 0
38 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 9.24757 5.11416 6.56633 7.41074 8.70133 4.65521 7.10439 11.4799 7.4697 5.7113 8.44406 5.64598 numMergedOcc 0
39 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 9.24757 5.11416 15.3808 7.41074 8.70133 15.9587 7.10439 11.4799 7.4697 19.0652 8.44406 5.64598 numMergedOcc 0
40 mol 73 unq 2 iso 0 dist 9.96396 8.70481 14.9342 9.24757 5.11416 15.3808 7.41074 8.70133 15.9587 7.10439 6.19304 5.4148 13.3558 6.56633 4.65521 numMergedOcc 0
41 mol 73 unq 3 iso 0 dist 6.19304 9.96396 5.4148 9.24757 6.56633 5.11416 7.41074 4.65521 8.70133 7.10439 11.4799 5.7113 7.4697 8.44406 5.64598 numMergedOcc 0
42 mol 73 unq 4 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 7.41074 4.65521 15.9587 7.10439 9.96396 5.4148 14.9342 5.11416 8.70133 numMergedOcc 0
43 mol 73 unq 5 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 7.41074 4.65521 15.9587 7.10439 11.4799 5.7113 19.0652 8.44406 5.64598 numMergedOcc 0
44 mol 85 unq 0 iso 0 dist 6.19965 7.95579 4.26409 7.54568 8.09967 10.2865 11.6116 9.47876 13.6587 11.8261 7.66905 6.9948 10.7229 4.65335 7.22293 numMergedOcc 0
45 mol 85 unq 1 iso 0 dist 7.66905 7.95579 10.7229 7.54568 4.65335 10.2865 11.6116 7.22293 13.6587 11.8261 6.19965 6.9948 4.26409 8.09967 9.47876 numMergedOcc 0
46 mol 92 unq 0 iso 0 dist 7.4729 6.82344 8.95922 6.95572 9.50382 7.56363 6.99832 5.81965 9.70512 5.39745 11.862 5.02055 12.4494 11.3858 7.06013 numMergedOcc 0
47 mol 92 unq 1 iso 0 dist 7.4729 6.82344 8.95922 7.38677 12.7565 5.91004 6.99832 5.81965 9.70512 10.8154 11.862 5.02055 12.4494 16.0766 7.06013 numMergedOcc 0
48 mol 92 unq 2 iso 0 dist 6.82344 7.4729 8.95922 6.95572 7.56363 9.50382 6.99832 9.70512 5.81965 5.39745 11.862 12.4494 5.02055 11.3858 7.06013 numMergedOcc 0
49 mol 92 unq 3 iso 0 dist 6.82344 7.4729 8.95922 7.38677 5.91004 12.7565 6.99832 9.70512 5.81965 10.8154 11.862 12.4494 5.02055 16.0766 7.06013 numMergedOcc 0
50 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 7.38135 11.2312 7.11701 15.209 7.75343 11.8016 18.081 12.0662 5.88134 7.1752 14.2012 6.58204 numMergedOcc 0
51 mol 100 unq 1 iso 0 dist 7.47343 8.86688 10.1407 7.38135 11.2312 7.79768 15.209 7.75343 15.6924 18.081 12.0662 5.88134 14.8365 14.2012 6.58204 numMergedOcc 0
52 mol 131 unq 0 iso 0 dist 7.12972 8.40312 5.55373 9.90168 8.23791 7.7567 6.19596 8.6243 12.5969 11.4282 6.85062 6.63273 10.7062 13.7237 6.91348 numMergedOcc 0
53 mol 131 unq 1 iso 0 dist 6.85062 8.40312 10.7062 9.90168 13.7237 7.7567 6.19596 6.91348 12.5969 11.4282 7.12972 6.63273 5.55373 8.23791 8.6243 numMergedOcc 0
54 mol 134 unq 0 iso 0 dist 6.54501 9.89303 5.79898 7.69991 5.71679 4.60632 10.1448 8.6355 12.0514 8.73604 11.9139 8.80819 6.86927 4.57832 8.79571 numMergedOcc 0
55 mol 134 unq 1 iso 0 dist 6.54501 9.89303 5.79898 7.69991 5.71679 4.60632 10.1448 8.6355 12.0514 8.73604 9.5126 5.00817 7.11631 5.29786 5.42582 numMergedOcc 0
56 mol 134 unq 2 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 5.41704 8.79571 5.42582 8.73604 6.49416 8.80819 5.00817 5.71679 8.6355 numMergedOcc 0
57 mol 134 unq 3 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 5.41704 8.79571 8.6355 8.73604 6.37586 5.49782 5.00817 5.29786 5.42582 numMergedOcc 0
58 mol 134 unq 4 iso 0 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 5.41704 5.42582 8.79571 8.73604 6.49416 5.00817 8.80819 5.71679 8.6355 numMergedOcc 0
59 mol 134 unq 5 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 5.41704 5.42582 8.6355 8.73604 8.94367 5.49782 8.80819 4.57832 8.79571 numMergedOcc 0
60 mol 134 unq 6 iso 0 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 5.41704 8.6355 8.79571 8.73604 6.37586 5.00817 5.49782 5.29786 5.42582 numMergedOcc 0
61 mol 134 unq 7 iso 0 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 5.41704 8.6355 5.42582 8.73604 8.94367 8.80819 5.49782 4.57832 8.79571 numMergedOcc 0
62 mol 134 unq 8 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 6.17103 8.79571 5.42582 8.73604 12.5075 8.80819 5.00817 5.71679 8.6355 numMergedOcc 0
63 mol 134 unq 9 iso 0 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 6.17103 5.42582 8.79571 8.73604 12.5075 5.00817 8.80819 5.71679 8.6355 numMergedOcc 0
64 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 9.4013 5.71511 6.13574 6.29785 9.36805 13.1853 10.735 10.4649 5.76755 11.1775 8.63358 8.47155 numMergedOcc 0
65 mol 156 unq 1 iso 0 dist 7.44554 8.94056 5.56175 9.4013 5.71511 6.13574 6.29785 9.36805 13.1853 10.735 9.83699 8.38403 11.2719 5.80008 7.55203 numMergedOcc 0
66 mol 156 unq 2 iso 0 dist 7.44554 9.83699 8.38403 9.4013 5.71511 5.80008 6.29785 9.36805 7.55203 10.735 10.4649 5.76755 7.60354 8.63358 8.47155 numMergedOcc 0
67 mol 156 unq 3 iso 0 dist 9.83699 7.44554 8.38403 9.4013 5.80008 5.71511 6.29785 7.55203 9.36805 10.735 10.4649 7.60354 5.76755 8.63358 8.47155 numMergedOcc 0
68 mol 156 unq 4 iso 0 dist 9.83699 8.94056 11.2719 9.4013 5.80008 6.13574 6.29785 7.55203 13.1853 10.735 10.4649 7.60354 11.1775 8.63358 8.47155 numMergedOcc 0
69 mol 156 unq 5 iso 0 dist 9.83699 8.94056 11.2719 9.4013 5.80008 6.13574 6.29785 7.55203 13.1853 10.735 7.44554 8.38403 5.56175 5.71511 9.36805 numMergedOcc 0
70 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 7.43071 6.35849 6.00424 6.43754 8.17891 12.4085 12.2922 8.65997 5.22356 7.60506 10.204 6.95902 numMergedOcc 0
71 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 5.41321 10.9607 10.7656 6.43754 8.17891 12.4085 7.57454 8.65997 5.22356 7.60506 9.72615 6.95902 numMergedOcc 0
72 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 7.43071 6.35849 9.76735 6.43754 8.17891 11.004 12.2922 8.65997 5.22356 9.70012 10.204 6.95902 numMergedOcc 0
73 mol 227 unq 3 iso 0 dist 7.22101 7.56888 10.8658 5.41321 10.9607 5.10635 6.43754 8.17891 11.004 7.57454 8.65997 5.22356 9.70012 9.72615 6.95902 numMergedOcc 0
74 mol 227 unq 4 iso 0 dist 7.22101 7.55216 12.4689 7.43071 6.35849 9.32448 6.43754 8.17891 12.8864 12.2922 8.65997 5.22356 12.9332 10.204 6.95902 numMergedOcc 0
75 mol 227 unq 5 iso 0 dist 7.22101 7.55216 12.4689 5.41321 10.9607 6.48027 6.43754 8.17891 12.8864 7.57454 8.65997 5.22356 12.9332 9.72615 6.95902 numMergedOcc 0
76 mol 227 unq 6 iso 0 dist 8.65997 9.34734 7.60506 7.43071 10.204 6.00424 6.43754 6.95902 12.4085 12.2922 7.22101 5.22356 6.99063 6.35849 8.17891 numMergedOcc 0
77 mol 227 unq 7 iso 0 dist 8.65997 9.34734 7.60506 5.41321 9.72615 10.7656 6.43754 6.95902 12.4085 7.57454 7.22101 5.22356 6.99063 10.9607 8.17891 numMergedOcc 0
78 mol 227 unq 8 iso 0 dist 8.65997 7.56888 9.70012 7.43071 10.204 9.76735 6.43754 6.95902 11.004 12.2922 7.22101 5.22356 10.8658 6.35849 8.17891 numMergedOcc 0
79 mol 227 unq 9 iso 0 dist 8.65997 7.56888 9.70012 5.41321 9.72615 5.10635 6.43754 6.95902 11.004 7.57454 7.22101 5.22356 10.8658 10.9607 8.17891 numMergedOcc 0
80 mol 227 unq 10 iso 0 dist 8.65997 7.55216 12.9332 7.43071 10.204 9.32448 6.43754 6.95902 12.8864 12.2922 7.22101 5.22356 12.4689 6.35849 8.17891 numMergedOcc 0
81 mol 227 unq 11 iso 0 dist 8.65997 7.55216 12.9332 5.41321 9.72615 6.48027 6.43754 6.95902 12.8864 7.57454 7.22101 5.22356 12.4689 10.9607 8.17891 numMergedOcc 0
82 mol 259 unq 0 iso 0 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 11.6195 7.48005 10.9591 8.71497 15.9169 12.5353 13.2121 8.75685 8.37865 numMergedOcc 0
83 mol 282 unq 0 iso 0 dist 8.04483 8.76532 10.0156 9.0975 5.65568 8.12478 6.3384 6.85028 10.4802 11.0343 6.33524 5.39891 4.66602 5.0324 7.32347 numMergedOcc 0
84 mol 282 unq 1 iso 0 dist 8.04483 8.76532 10.0156 9.0975 5.65568 8.12478 6.3384 6.85028 10.4802 11.0343 13.5481 7.76539 13.8266 12.4748 8.3411 numMergedOcc 0
85 mol 282 unq 2 iso 0 dist 8.04483 6.33524 5.39891 9.0975 5.65568 5.0324 6.3384 6.85028 7.32347 11.0343 13.5481 7.76539 10.5372 12.4748 8.3411 numMergedOcc 0
86 mol 282 unq 3 iso 0 dist 6.33524 8.04483 5.39891 9.0975 5.0324 5.65568 6.3384 7.32347 6.85028 11.0343 13.5481 10.5372 7.76539 12.4748 8.3411 numMergedOcc 0
87 mol 282 unq 4 iso 0 dist 6.33524 8.76532 4.66602 9.0975 5.0324 8.12478 6.3384 7.32347 10.4802 11.0343 8.04483 5.39891 10.0156 5.65568 6.85028 numMergedOcc 0
88 mol 282 unq 5 iso 0 dist 6.33524 8.76532 4.66602 9.0975 5.0324 8.12478 6.3384 7.32347 10.4802 11.0343 13.5481 10.5372 13.8266 12.4748 8.3411 numMergedOcc 0
