0 mol 24 unq 0 iso 0 dist 9.41441 11.1124 6.2004 9.88364 9.85784 7.19293 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.41441 11.1124 6.2004 9.78753 9.87996 5.56258 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.73939 10.2913 6.2004 15.4313 9.85784 7.19293 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.73939 10.2913 6.2004 14.1829 9.87996 5.56258 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 8.4051 4.33963 4.90592 10.1698 6.61696 8.10397 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 8.4051 4.33963 4.90592 13.6174 5.80953 9.57743 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 8.4051 17.4067 9.36461 10.1698 6.61696 13.8334 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 8.4051 17.4067 9.36461 13.6174 5.80953 4.47891 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 7.29868 12.0003 4.90592 8.91183 6.61696 8.10397 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 7.29868 12.0003 4.90592 5.69214 5.80953 9.57743 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 7.29868 6.00575 9.36461 8.91183 6.61696 13.8334 numMergedOcc 0
11 mol 24 unq 11 iso 0 dist 7.29868 6.00575 9.36461 5.69214 5.80953 4.47891 numMergedOcc 0
12 mol 24 unq 12 iso 0 dist 8.60554 11.2106 4.90592 14.8647 6.61696 8.10397 numMergedOcc 0
13 mol 24 unq 13 iso 0 dist 8.60554 11.2106 4.90592 5.11636 5.80953 9.57743 numMergedOcc 0
14 mol 24 unq 14 iso 0 dist 8.60554 5.97304 9.36461 14.8647 6.61696 13.8334 numMergedOcc 0
15 mol 24 unq 15 iso 0 dist 8.60554 5.97304 9.36461 5.11636 5.80953 4.47891 numMergedOcc 0
16 mol 24 unq 16 iso 0 dist 8.75662 4.33963 8.16324 5.50396 9.586 5.11135 numMergedOcc 0
17 mol 24 unq 17 iso 0 dist 9.44691 11.2106 8.16324 14.4081 9.586 5.11135 numMergedOcc 0
18 mol 58 unq 0 iso 0 dist 8.80614 10.4524 6.62229 11.3019 7.58739 6.0309 numMergedOcc 0
19 mol 58 unq 1 iso 0 dist 8.80614 10.4524 6.62229 9.87158 9.01564 11.5843 numMergedOcc 0
20 mol 58 unq 2 iso 0 dist 8.80614 10.4524 6.62229 5.86526 7.11065 7.05093 numMergedOcc 0
21 mol 73 unq 0 iso 0 dist 9.24757 8.26458 6.48232 6.20232 8.96616 10.9746 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 9.24757 8.26458 6.48232 5.70116 6.14542 7.8972 numMergedOcc 0
23 mol 85 unq 0 iso 0 dist 9.82915 6.37974 8.70863 11.9064 5.05893 12.7386 numMergedOcc 0
24 mol 85 unq 1 iso 0 dist 9.82915 6.37974 8.70863 14.7521 5.71866 14.1999 numMergedOcc 0
25 mol 92 unq 0 iso 0 dist 7.52354 7.23437 8.29345 6.95017 8.93769 8.08435 numMergedOcc 0
26 mol 96 unq 0 iso 0 dist 8.39111 6.16858 7.3964 8.75437 9.13187 11.182 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 8.00003 5.75886 7.12072 9.85023 6.18678 5.23023 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 7.69991 13.1292 9.30061 12.847 9.0176 4.935 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 6.23142 9.4027 9.30061 8.06642 9.0176 4.935 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 9.94764 5.12325 9.30061 4.00092 9.0176 4.935 numMergedOcc 0
31 mol 135 unq 0 iso 0 dist 5.62052 5.66293 9.40325 8.50814 7.28318 11.321 numMergedOcc 0
32 mol 135 unq 1 iso 0 dist 5.62052 7.79226 8.25527 8.50814 7.28318 9.28378 numMergedOcc 0
33 mol 135 unq 2 iso 0 dist 5.62052 13.2293 8.83856 8.50814 7.28318 11.9049 numMergedOcc 0
34 mol 135 unq 3 iso 0 dist 7.90563 5.66293 7.62606 8.50814 7.17599 11.321 numMergedOcc 0
35 mol 135 unq 4 iso 0 dist 7.85645 10.1275 9.40325 3.95636 7.28318 11.321 numMergedOcc 0
36 mol 135 unq 5 iso 0 dist 7.85645 6.99298 8.25527 3.95636 7.28318 9.28378 numMergedOcc 0
37 mol 135 unq 6 iso 0 dist 7.85645 12.8689 8.83856 3.95636 7.28318 11.9049 numMergedOcc 0
38 mol 135 unq 7 iso 0 dist 8.97655 10.1275 7.62606 3.95636 7.17599 11.321 numMergedOcc 0
39 mol 141 unq 0 iso 0 dist 8.10291 11.2667 9.78667 4.32342 7.42144 12.6553 numMergedOcc 0
40 mol 141 unq 1 iso 0 dist 8.10291 11.2667 9.78667 7.17845 6.27658 13.5035 numMergedOcc 0
41 mol 141 unq 2 iso 0 dist 8.10291 7.52924 8.47026 4.32342 7.42144 10.1588 numMergedOcc 0
42 mol 141 unq 3 iso 0 dist 8.10291 7.52924 8.47026 7.17845 6.27658 11.7454 numMergedOcc 0
43 mol 141 unq 4 iso 0 dist 9.97343 13.8236 7.64956 13.4066 6.65731 8.48213 numMergedOcc 0
44 mol 141 unq 5 iso 0 dist 9.70413 6.30121 7.64956 8.54432 6.65731 8.48213 numMergedOcc 0
45 mol 171 unq 0 iso 0 dist 9.61462 5.487 8.1536 7.5383 7.47964 6.1593 numMergedOcc 0
46 mol 171 unq 1 iso 0 dist 6.64834 6.83134 7.32555 8.99935 9.34834 5.70722 numMergedOcc 0
47 mol 171 unq 2 iso 0 dist 6.64834 6.83134 7.32555 7.15048 5.74846 8.34756 numMergedOcc 0
48 mol 171 unq 3 iso 0 dist 5.93786 4.44751 7.32555 9.35703 9.34834 5.70722 numMergedOcc 0
49 mol 171 unq 4 iso 0 dist 5.93786 4.44751 7.32555 9.14311 5.74846 8.34756 numMergedOcc 0
50 mol 171 unq 5 iso 0 dist 8.24693 9.61561 7.32555 14.4375 9.34834 5.70722 numMergedOcc 0
51 mol 171 unq 6 iso 0 dist 8.24693 9.61561 7.32555 13.6262 5.74846 8.34756 numMergedOcc 0
52 mol 171 unq 7 iso 0 dist 7.36698 6.66219 7.32555 4.66982 9.34834 5.70722 numMergedOcc 0
53 mol 171 unq 8 iso 0 dist 7.36698 6.66219 7.32555 3.65288 5.74846 8.34756 numMergedOcc 0
54 mol 194 unq 0 iso 0 dist 8.65535 6.66155 6.37788 10.0756 4.19371 5.28603 numMergedOcc 0
55 mol 194 unq 1 iso 0 dist 8.65535 6.66155 6.37788 16.4082 9.71015 10.7058 numMergedOcc 0
56 mol 194 unq 2 iso 0 dist 8.65535 5.4499 8.7028 10.0756 4.19371 11.0713 numMergedOcc 0
57 mol 194 unq 3 iso 0 dist 8.65535 5.4499 8.7028 16.4082 9.71015 16.9177 numMergedOcc 0
58 mol 204 unq 0 iso 0 dist 7.32294 5.74707 5.91727 5.57347 9.48625 9.54203 numMergedOcc 0
59 mol 206 unq 0 iso 0 dist 8.07687 7.33454 9.14486 10.6496 8.24419 5.38668 numMergedOcc 0
60 mol 232 unq 0 iso 0 dist 8.50102 5.8023 6.57921 9.74344 9.9183 8.03712 numMergedOcc 0
61 mol 232 unq 1 iso 0 dist 9.40808 8.25884 6.57921 5.10213 9.9183 8.03712 numMergedOcc 0
62 mol 232 unq 2 iso 0 dist 9.05071 14.8035 8.28466 5.42461 6.59036 10.0046 numMergedOcc 0
63 mol 274 unq 0 iso 0 dist 7.46394 13.7877 7.79704 5.22914 7.77765 14.6057 numMergedOcc 0
64 mol 274 unq 1 iso 0 dist 7.46394 13.7877 7.79704 14.7507 9.65868 6.522 numMergedOcc 0
65 mol 274 unq 2 iso 0 dist 7.46394 16.6011 9.39276 5.22914 7.77765 15.1159 numMergedOcc 0
66 mol 274 unq 3 iso 0 dist 7.46394 16.6011 9.39276 14.7507 9.65868 7.44746 numMergedOcc 0
67 mol 274 unq 4 iso 0 dist 9.45514 8.09454 7.79704 12.393 7.77765 14.6057 numMergedOcc 0
68 mol 274 unq 5 iso 0 dist 9.45514 8.09454 7.79704 8.87855 9.65868 6.522 numMergedOcc 0
69 mol 274 unq 6 iso 0 dist 9.45514 14.1363 9.39276 12.393 7.77765 15.1159 numMergedOcc 0
70 mol 274 unq 7 iso 0 dist 9.45514 14.1363 9.39276 8.87855 9.65868 7.44746 numMergedOcc 0
71 mol 274 unq 8 iso 0 dist 8.91672 6.23174 7.79704 16.5034 7.77765 14.6057 numMergedOcc 0
72 mol 274 unq 9 iso 0 dist 8.91672 6.23174 7.79704 12.5615 9.65868 6.522 numMergedOcc 0
73 mol 274 unq 10 iso 0 dist 8.91672 10.9037 9.39276 16.5034 7.77765 15.1159 numMergedOcc 0
74 mol 274 unq 11 iso 0 dist 8.91672 10.9037 9.39276 12.5615 9.65868 7.44746 numMergedOcc 0
75 mol 274 unq 12 iso 0 dist 7.1729 10.0424 7.79704 10.2884 7.77765 14.6057 numMergedOcc 0
76 mol 274 unq 13 iso 0 dist 7.1729 10.0424 7.79704 13.0867 9.65868 6.522 numMergedOcc 0
77 mol 274 unq 14 iso 0 dist 7.1729 15.375 9.39276 10.2884 7.77765 15.1159 numMergedOcc 0
78 mol 274 unq 15 iso 0 dist 7.1729 15.375 9.39276 13.0867 9.65868 7.44746 numMergedOcc 0
79 mol 274 unq 16 iso 0 dist 8.52587 5.90436 8.2997 16.9539 8.60027 14.9951 numMergedOcc 0
80 mol 274 unq 17 iso 0 dist 6.39866 10.4342 8.2997 8.87855 8.60027 14.9951 numMergedOcc 0
