0 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 7.48342 4.39605 12.1303 6.29685 10.2062 15.3099 6.50647 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 9.97507 8.38064 9.03536 7.48342 12.1303 4.39605 6.29685 15.3099 10.2062 6.50647 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 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 7.75618 9.74255 4.96411 5.5841 9.58539 9.80108 7.02548 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.20519 6.864 7.07775 7.75618 4.96411 7.08342 5.5841 9.80108 8.58657 7.02548 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 6.864 7.20519 7.07775 7.75618 7.08342 4.96411 5.5841 8.58657 9.80108 7.02548 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 8.4674 4.51865 5.80928 8.40416 9.74255 7.08342 6.74265 9.58539 8.58657 7.02548 numMergedOcc 0
7 mol 19 unq 2 iso 1 dist 4.51865 8.4674 5.80928 8.40416 7.08342 9.74255 6.74265 8.58657 9.58539 7.02548 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 8.4674 4.54938 7.67038 6.41575 4.64838 4.97119 5.14627 6.20943 7.82528 5.82366 numMergedOcc 0
9 mol 19 unq 3 iso 1 dist 4.54938 8.4674 7.67038 6.41575 4.97119 4.64838 5.14627 7.82528 6.20943 5.82366 numMergedOcc 0
10 mol 19 unq 4 iso 0 dist 8.4674 7.82074 10.3915 6.41575 4.64838 6.01808 5.14627 6.20943 10.2708 5.82366 numMergedOcc 0
11 mol 19 unq 4 iso 1 dist 7.82074 8.4674 10.3915 6.41575 6.01808 4.64838 5.14627 10.2708 6.20943 5.82366 numMergedOcc 0
12 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 7.75618 9.74255 7.08342 5.5841 9.58539 8.58657 7.02548 numMergedOcc 0
13 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 7.75618 7.08342 9.74255 5.5841 8.58657 9.58539 7.02548 numMergedOcc 0
14 mol 19 unq 4 iso 0 dist 4.54938 7.82074 5.03957 6.41575 4.97119 6.01808 5.14627 7.82528 10.2708 5.82366 numMergedOcc 0
15 mol 19 unq 4 iso 1 dist 7.82074 4.54938 5.03957 6.41575 6.01808 4.97119 5.14627 10.2708 7.82528 5.82366 numMergedOcc 0
16 mol 19 unq 3 iso 0 dist 4.51865 6.864 7.67038 6.41423 4.64838 4.97119 4.69858 6.20943 7.82528 5.82366 numMergedOcc 0
17 mol 19 unq 3 iso 1 dist 6.864 4.51865 7.67038 6.41423 4.97119 4.64838 4.69858 7.82528 6.20943 5.82366 numMergedOcc 0
18 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 7.21955 7.09066 7.12541 6.75888 10.335 6.40841 8.71468 numMergedOcc 0
19 mol 58 unq 0 iso 1 dist 7.32874 6.81627 5.47421 7.21955 7.12541 7.09066 6.75888 6.40841 10.335 8.71468 numMergedOcc 0
20 mol 58 unq 1 iso 0 dist 6.81627 9.55426 9.7274 7.21955 7.09066 5.74871 6.75888 10.335 6.31428 8.71468 numMergedOcc 0
21 mol 58 unq 1 iso 1 dist 9.55426 6.81627 9.7274 7.21955 5.74871 7.09066 6.75888 6.31428 10.335 8.71468 numMergedOcc 0
22 mol 58 unq 1 iso 0 dist 7.32874 9.55426 5.90225 7.21955 7.12541 5.74871 6.75888 6.40841 6.31428 8.71468 numMergedOcc 0
23 mol 58 unq 1 iso 1 dist 9.55426 7.32874 5.90225 7.21955 5.74871 7.12541 6.75888 6.31428 6.40841 8.71468 numMergedOcc 0
24 mol 58 unq 2 iso 0 dist 6.86465 6.62496 5.30792 8.80614 10.2049 9.95364 13.9007 17.4911 16.3613 7.6481 numMergedOcc 0
25 mol 58 unq 2 iso 1 dist 6.62496 6.86465 5.30792 8.80614 9.95364 10.2049 13.9007 16.3613 17.4911 7.6481 numMergedOcc 0
26 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 numMergedOcc 0
27 mol 58 unq 3 iso 1 dist 6.62496 6.86465 5.30792 8.80614 9.95364 10.2049 6.47744 11.5023 8.63333 9.11258 numMergedOcc 0
28 mol 58 unq 4 iso 0 dist 6.86465 6.35756 5.35073 8.80614 10.2049 5.49591 13.9007 17.4911 12.7237 7.6481 numMergedOcc 0
29 mol 58 unq 4 iso 1 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 13.9007 12.7237 17.4911 7.6481 numMergedOcc 0
30 mol 58 unq 5 iso 0 dist 6.86465 6.35756 5.35073 8.80614 10.2049 5.49591 6.47744 8.63333 8.89374 9.11258 numMergedOcc 0
31 mol 58 unq 5 iso 1 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 6.47744 8.89374 8.63333 9.11258 numMergedOcc 0
32 mol 58 unq 4 iso 0 dist 6.62496 6.35756 4.81926 8.80614 9.95364 5.49591 13.9007 16.3613 12.7237 7.6481 numMergedOcc 0
33 mol 58 unq 4 iso 1 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 13.9007 12.7237 16.3613 7.6481 numMergedOcc 0
34 mol 58 unq 5 iso 0 dist 6.62496 6.35756 4.81926 8.80614 9.95364 5.49591 6.47744 11.5023 8.89374 9.11258 numMergedOcc 0
35 mol 58 unq 5 iso 1 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 6.47744 8.89374 11.5023 9.11258 numMergedOcc 0
36 mol 59 unq 0 iso 0 dist 7.71095 8.84665 12.5396 6.73347 9.64444 4.36133 5.33688 6.71911 12.8699 9.2902 numMergedOcc 0
37 mol 59 unq 0 iso 1 dist 8.84665 7.71095 12.5396 6.73347 4.36133 9.64444 5.33688 12.8699 6.71911 9.2902 numMergedOcc 0
38 mol 59 unq 1 iso 0 dist 7.71095 8.25513 8.19458 6.73347 9.64444 6.66692 5.33688 6.71911 11.6249 9.2902 numMergedOcc 0
39 mol 59 unq 1 iso 1 dist 8.25513 7.71095 8.19458 6.73347 6.66692 9.64444 5.33688 11.6249 6.71911 9.2902 numMergedOcc 0
40 mol 59 unq 1 iso 0 dist 8.84665 8.25513 6.40295 6.73347 4.36133 6.66692 5.33688 12.8699 11.6249 9.2902 numMergedOcc 0
41 mol 59 unq 1 iso 1 dist 8.25513 8.84665 6.40295 6.73347 6.66692 4.36133 5.33688 11.6249 12.8699 9.2902 numMergedOcc 0
42 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 numMergedOcc 0
43 mol 73 unq 0 iso 1 dist 6.19304 9.96396 5.4148 9.24757 6.56633 5.11416 7.41074 4.65521 8.70133 7.10439 numMergedOcc 0
44 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 numMergedOcc 0
45 mol 73 unq 1 iso 1 dist 8.70481 9.96396 14.9342 9.24757 15.3808 5.11416 7.41074 15.9587 8.70133 7.10439 numMergedOcc 0
46 mol 73 unq 1 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 7.41074 4.65521 15.9587 7.10439 numMergedOcc 0
47 mol 73 unq 1 iso 1 dist 8.70481 6.19304 13.3558 9.24757 15.3808 6.56633 7.41074 15.9587 4.65521 7.10439 numMergedOcc 0
48 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 9.82915 9.29301 13.5116 15.8792 13.9302 18.8901 6.05495 numMergedOcc 0
49 mol 85 unq 0 iso 1 dist 7.47541 7.97049 6.9948 9.82915 13.5116 9.29301 15.8792 18.8901 13.9302 6.05495 numMergedOcc 0
50 mol 92 unq 0 iso 0 dist 7.4729 6.82344 8.95922 6.95572 9.50382 7.56363 9.32974 10.6071 13.3102 6.72712 numMergedOcc 0
51 mol 92 unq 0 iso 1 dist 6.82344 7.4729 8.95922 6.95572 7.56363 9.50382 9.32974 13.3102 10.6071 6.72712 numMergedOcc 0
52 mol 92 unq 1 iso 0 dist 7.4729 6.82344 8.95922 6.95572 9.50382 7.56363 6.99832 5.81965 9.70512 5.39745 numMergedOcc 0
53 mol 92 unq 1 iso 1 dist 6.82344 7.4729 8.95922 6.95572 7.56363 9.50382 6.99832 9.70512 5.81965 5.39745 numMergedOcc 0
54 mol 134 unq 0 iso 0 dist 9.89303 6.54501 5.79898 7.69991 4.60632 5.71679 6.69989 12.7291 10.9685 8.55616 numMergedOcc 0
55 mol 134 unq 0 iso 1 dist 6.54501 9.89303 5.79898 7.69991 5.71679 4.60632 6.69989 10.9685 12.7291 8.55616 numMergedOcc 0
56 mol 134 unq 1 iso 0 dist 9.89303 6.54501 5.79898 7.69991 4.60632 5.71679 10.1448 12.0514 8.6355 8.73604 numMergedOcc 0
57 mol 134 unq 1 iso 1 dist 6.54501 9.89303 5.79898 7.69991 5.71679 4.60632 10.1448 8.6355 12.0514 8.73604 numMergedOcc 0
58 mol 134 unq 2 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 5.3585 11.2292 10.9613 8.55616 numMergedOcc 0
59 mol 134 unq 2 iso 1 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 5.3585 10.9613 11.2292 8.55616 numMergedOcc 0
60 mol 134 unq 3 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 5.41704 8.79571 5.42582 8.73604 numMergedOcc 0
61 mol 134 unq 3 iso 1 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 5.41704 5.42582 8.79571 8.73604 numMergedOcc 0
62 mol 134 unq 4 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 5.3585 11.2292 10.9685 8.55616 numMergedOcc 0
63 mol 134 unq 4 iso 1 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 5.3585 10.9685 11.2292 8.55616 numMergedOcc 0
64 mol 134 unq 5 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 5.41704 8.79571 8.6355 8.73604 numMergedOcc 0
65 mol 134 unq 5 iso 1 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 5.41704 8.6355 8.79571 8.73604 numMergedOcc 0
66 mol 134 unq 4 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 5.3585 10.9613 10.9685 8.55616 numMergedOcc 0
67 mol 134 unq 4 iso 1 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 5.3585 10.9685 10.9613 8.55616 numMergedOcc 0
68 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 numMergedOcc 0
69 mol 134 unq 5 iso 1 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 5.41704 8.6355 5.42582 8.73604 numMergedOcc 0
70 mol 134 unq 6 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 6.74887 11.2292 10.9613 8.55616 numMergedOcc 0
71 mol 134 unq 6 iso 1 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 6.74887 10.9613 11.2292 8.55616 numMergedOcc 0
72 mol 134 unq 7 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 6.17103 8.79571 5.42582 8.73604 numMergedOcc 0
73 mol 134 unq 7 iso 1 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 6.17103 5.42582 8.79571 8.73604 numMergedOcc 0
74 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 7.30357 10.4977 12.3086 5.07967 10.7757 13.5803 7.30946 numMergedOcc 0
75 mol 156 unq 0 iso 1 dist 9.06726 8.34702 6.31306 7.30357 12.3086 10.4977 5.07967 13.5803 10.7757 7.30946 numMergedOcc 0
76 mol 156 unq 1 iso 0 dist 8.34702 8.33171 6.56229 7.30357 10.4977 7.79535 5.07967 10.7757 11.7927 7.30946 numMergedOcc 0
77 mol 156 unq 1 iso 1 dist 8.33171 8.34702 6.56229 7.30357 7.79535 10.4977 5.07967 11.7927 10.7757 7.30946 numMergedOcc 0
78 mol 156 unq 2 iso 0 dist 7.66148 8.94056 10.1658 7.90267 6.03934 5.4555 8.67156 10.9818 6.27641 5.81122 numMergedOcc 0
79 mol 156 unq 2 iso 1 dist 8.94056 7.66148 10.1658 7.90267 5.4555 6.03934 8.67156 6.27641 10.9818 5.81122 numMergedOcc 0
80 mol 156 unq 1 iso 0 dist 9.06726 8.33171 5.64555 7.30357 12.3086 7.79535 5.07967 13.5803 11.7927 7.30946 numMergedOcc 0
81 mol 156 unq 1 iso 1 dist 8.33171 9.06726 5.64555 7.30357 7.79535 12.3086 5.07967 11.7927 13.5803 7.30946 numMergedOcc 0
82 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 8.90963 8.91338 9.81073 8.25067 13.2702 10.8351 5.95304 numMergedOcc 0
83 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 8.90963 9.81073 8.91338 8.25067 10.8351 13.2702 5.95304 numMergedOcc 0
84 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 8.90963 8.91338 9.34211 8.25067 13.2702 9.6668 5.95304 numMergedOcc 0
85 mol 181 unq 1 iso 1 dist 9.15386 9.1374 12.1628 8.90963 9.34211 8.91338 8.25067 9.6668 13.2702 5.95304 numMergedOcc 0
86 mol 181 unq 2 iso 0 dist 9.1374 8.03334 13.2049 6.2479 6.6251 7.81713 6.25083 6.94688 12.1309 9.06217 numMergedOcc 0
87 mol 181 unq 2 iso 1 dist 8.03334 9.1374 13.2049 6.2479 7.81713 6.6251 6.25083 12.1309 6.94688 9.06217 numMergedOcc 0
88 mol 181 unq 3 iso 0 dist 9.1374 8.03334 13.2049 6.2479 6.6251 7.81713 4.77278 6.71012 12.2058 7.13252 numMergedOcc 0
89 mol 181 unq 3 iso 1 dist 8.03334 9.1374 13.2049 6.2479 7.81713 6.6251 4.77278 12.2058 6.71012 7.13252 numMergedOcc 0
90 mol 181 unq 1 iso 0 dist 5.98885 9.15386 5.16002 8.90963 9.81073 9.34211 8.25067 10.8351 9.6668 5.95304 numMergedOcc 0
91 mol 181 unq 1 iso 1 dist 9.15386 5.98885 5.16002 8.90963 9.34211 9.81073 8.25067 9.6668 10.8351 5.95304 numMergedOcc 0
92 mol 181 unq 2 iso 0 dist 5.98885 9.09537 10.1912 7.99195 6.6251 10.09 5.86342 6.94688 14.4632 9.06217 numMergedOcc 0
93 mol 181 unq 2 iso 1 dist 9.09537 5.98885 10.1912 7.99195 10.09 6.6251 5.86342 14.4632 6.94688 9.06217 numMergedOcc 0
94 mol 181 unq 3 iso 0 dist 5.98885 9.09537 10.1912 7.99195 6.6251 10.09 9.14057 6.71012 15.4777 7.13252 numMergedOcc 0
95 mol 181 unq 3 iso 1 dist 9.09537 5.98885 10.1912 7.99195 10.09 6.6251 9.14057 15.4777 6.71012 7.13252 numMergedOcc 0
96 mol 181 unq 2 iso 0 dist 7.81386 7.63312 8.85576 5.94469 7.77758 12.5387 6.7991 4.93785 10.1232 7.05653 numMergedOcc 0
97 mol 181 unq 2 iso 1 dist 7.63312 7.81386 8.85576 5.94469 12.5387 7.77758 6.7991 10.1232 4.93785 7.05653 numMergedOcc 0
98 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 5.71262 8.36822 12.1647 7.33225 numMergedOcc 0
99 mol 192 unq 0 iso 1 dist 7.00794 5.59424 5.76246 8.77999 11.7523 8.49529 5.71262 12.1647 8.36822 7.33225 numMergedOcc 0
100 mol 224 unq 0 iso 0 dist 9.40098 6.61986 9.54151 9.51597 4.98993 12.4692 7.67202 11.1518 12.6391 8.08737 numMergedOcc 0
101 mol 224 unq 0 iso 1 dist 6.61986 9.40098 9.54151 9.51597 12.4692 4.98993 7.67202 12.6391 11.1518 8.08737 numMergedOcc 0
102 mol 227 unq 0 iso 0 dist 9.34734 7.22101 6.99063 5.41321 10.7656 10.9607 6.43754 12.4085 8.17891 7.57454 numMergedOcc 0
103 mol 227 unq 0 iso 1 dist 7.22101 9.34734 6.99063 5.41321 10.9607 10.7656 6.43754 8.17891 12.4085 7.57454 numMergedOcc 0
104 mol 227 unq 1 iso 0 dist 9.34734 8.65997 7.60506 5.41321 10.7656 9.72615 6.43754 12.4085 6.95902 7.57454 numMergedOcc 0
105 mol 227 unq 1 iso 1 dist 8.65997 9.34734 7.60506 5.41321 9.72615 10.7656 6.43754 6.95902 12.4085 7.57454 numMergedOcc 0
106 mol 227 unq 2 iso 0 dist 9.34734 7.56888 7.43198 5.41321 10.7656 5.10635 6.43754 12.4085 11.004 7.57454 numMergedOcc 0
107 mol 227 unq 2 iso 1 dist 7.56888 9.34734 7.43198 5.41321 5.10635 10.7656 6.43754 11.004 12.4085 7.57454 numMergedOcc 0
108 mol 227 unq 3 iso 0 dist 9.34734 7.55216 9.51866 5.41321 10.7656 6.48027 6.43754 12.4085 12.8864 7.57454 numMergedOcc 0
109 mol 227 unq 3 iso 1 dist 7.55216 9.34734 9.51866 5.41321 6.48027 10.7656 6.43754 12.8864 12.4085 7.57454 numMergedOcc 0
110 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 5.41321 10.9607 9.72615 6.43754 8.17891 6.95902 7.57454 numMergedOcc 0
111 mol 227 unq 1 iso 1 dist 8.65997 7.22101 5.22356 5.41321 9.72615 10.9607 6.43754 6.95902 8.17891 7.57454 numMergedOcc 0
112 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 5.41321 10.9607 5.10635 6.43754 8.17891 11.004 7.57454 numMergedOcc 0
113 mol 227 unq 2 iso 1 dist 7.56888 7.22101 10.8658 5.41321 5.10635 10.9607 6.43754 11.004 8.17891 7.57454 numMergedOcc 0
114 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 5.41321 10.9607 6.48027 6.43754 8.17891 12.8864 7.57454 numMergedOcc 0
115 mol 227 unq 3 iso 1 dist 7.55216 7.22101 12.4689 5.41321 6.48027 10.9607 6.43754 12.8864 8.17891 7.57454 numMergedOcc 0
116 mol 227 unq 2 iso 0 dist 8.65997 7.56888 9.70012 5.41321 9.72615 5.10635 6.43754 6.95902 11.004 7.57454 numMergedOcc 0
117 mol 227 unq 2 iso 1 dist 7.56888 8.65997 9.70012 5.41321 5.10635 9.72615 6.43754 11.004 6.95902 7.57454 numMergedOcc 0
118 mol 227 unq 3 iso 0 dist 8.65997 7.55216 12.9332 5.41321 9.72615 6.48027 6.43754 6.95902 12.8864 7.57454 numMergedOcc 0
119 mol 227 unq 3 iso 1 dist 7.55216 8.65997 12.9332 5.41321 6.48027 9.72615 6.43754 12.8864 6.95902 7.57454 numMergedOcc 0
120 mol 227 unq 3 iso 0 dist 7.56888 7.55216 4.48529 5.41321 5.10635 6.48027 6.43754 11.004 12.8864 7.57454 numMergedOcc 0
121 mol 227 unq 3 iso 1 dist 7.55216 7.56888 4.48529 5.41321 6.48027 5.10635 6.43754 12.8864 11.004 7.57454 numMergedOcc 0
122 mol 234 unq 0 iso 0 dist 8.41436 8.92474 8.62358 7.32499 10.7902 4.4288 5.9221 13.651 10.521 7.43663 numMergedOcc 0
123 mol 234 unq 0 iso 1 dist 8.92474 8.41436 8.62358 7.32499 4.4288 10.7902 5.9221 10.521 13.651 7.43663 numMergedOcc 0
124 mol 234 unq 1 iso 0 dist 8.41436 8.92474 8.62358 7.32499 10.7902 4.4288 13.2297 18.6592 11.4702 7.94068 numMergedOcc 0
125 mol 234 unq 1 iso 1 dist 8.92474 8.41436 8.62358 7.32499 4.4288 10.7902 13.2297 11.4702 18.6592 7.94068 numMergedOcc 0
126 mol 259 unq 0 iso 0 dist 8.13497 7.88519 4.69778 7.98231 8.41846 8.81835 11.6195 10.9591 7.48005 8.71497 numMergedOcc 0
127 mol 259 unq 0 iso 1 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 11.6195 7.48005 10.9591 8.71497 numMergedOcc 0
