0 mol 7 unq 0 iso 0 dist 6.02702 15.9584 9.97624 6.55304 6.14469 13.0969 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.72114 10.515 9.97624 6.34041 6.14469 13.0969 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.62394 5.60154 9.57198 16.147 7.35972 13.9252 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 9.62394 5.60154 9.57198 19.4709 9.93542 18.4167 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 5.96346 8.05213 8.73067 10.7734 7.98326 7.5901 numMergedOcc 0
5 mol 11 unq 1 iso 0 dist 5.96346 8.05213 8.73067 9.62262 7.46578 12.5553 numMergedOcc 0
6 mol 11 unq 2 iso 0 dist 6.35398 7.85924 9.09091 10.9183 7.98326 8.17605 numMergedOcc 0
7 mol 11 unq 3 iso 0 dist 6.35398 7.85924 9.09091 9.99434 7.90478 12.9594 numMergedOcc 0
8 mol 15 unq 0 iso 0 dist 6.42748 6.67334 6.50647 10.1154 6.03257 6.19131 numMergedOcc 0
9 mol 15 unq 1 iso 0 dist 7.48342 6.29685 6.50647 4.29582 6.03257 6.19131 numMergedOcc 0
10 mol 19 unq 0 iso 0 dist 8.40416 6.74265 7.02548 4.64838 9.95212 5.90856 numMergedOcc 0
11 mol 19 unq 1 iso 0 dist 7.75618 5.5841 7.02548 4.97119 9.95212 5.90856 numMergedOcc 0
12 mol 19 unq 2 iso 0 dist 6.41575 5.14627 5.82366 9.74255 9.95212 11.4087 numMergedOcc 0
13 mol 19 unq 3 iso 0 dist 6.41423 4.69858 5.82366 7.08342 9.95212 11.4087 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 9.01548 4.70708 6.63839 5.77929 8.88938 6.06874 numMergedOcc 0
15 mol 26 unq 0 iso 0 dist 6.46104 11.0099 7.3022 7.23703 6.93197 6.78223 numMergedOcc 0
16 mol 26 unq 1 iso 0 dist 7.36856 4.74747 7.3022 5.81765 6.93197 6.78223 numMergedOcc 0
17 mol 32 unq 0 iso 0 dist 7.99969 6.68431 4.62858 10.8897 8.5315 5.52033 numMergedOcc 0
18 mol 54 unq 0 iso 0 dist 6.14538 5.06052 6.30987 4.24786 9.17082 6.85072 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 9.24757 7.41074 7.10439 6.29906 8.87464 9.79695 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 9.82915 15.8792 6.05495 10.4987 9.66222 13.3263 numMergedOcc 0
21 mol 98 unq 0 iso 0 dist 6.7117 8.70415 6.0129 7.94178 7.36769 10.2677 numMergedOcc 0
22 mol 98 unq 1 iso 0 dist 6.7117 8.70415 6.0129 4.4057 6.88901 5.71029 numMergedOcc 0
23 mol 98 unq 2 iso 0 dist 4.47349 10.0962 6.0129 9.85543 7.36769 10.2677 numMergedOcc 0
24 mol 98 unq 3 iso 0 dist 4.47349 10.0962 6.0129 9.67482 6.88901 5.71029 numMergedOcc 0
25 mol 98 unq 4 iso 0 dist 5.65185 11.2452 6.0129 7.28361 7.36769 10.2677 numMergedOcc 0
26 mol 98 unq 5 iso 0 dist 5.65185 11.2452 6.0129 12.0974 6.88901 5.71029 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 7.69991 6.69989 8.55616 7.41674 6.40575 10.6595 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 7.69991 10.1448 8.73604 7.41674 6.40575 14.1488 numMergedOcc 0
29 mol 134 unq 2 iso 0 dist 6.23142 5.3585 8.55616 9.87376 6.40575 10.6595 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 6.23142 5.41704 8.73604 9.87376 6.40575 14.1488 numMergedOcc 0
31 mol 134 unq 4 iso 0 dist 9.94764 6.74887 8.55616 14.9876 6.40575 10.6595 numMergedOcc 0
32 mol 134 unq 5 iso 0 dist 9.94764 6.17103 8.73604 14.9876 6.40575 14.1488 numMergedOcc 0
33 mol 141 unq 0 iso 0 dist 8.10291 10.5489 4.25566 14.7684 9.83945 7.64948 numMergedOcc 0
34 mol 141 unq 1 iso 0 dist 8.10291 6.71391 6.63171 14.7684 9.83945 14.2837 numMergedOcc 0
35 mol 141 unq 2 iso 0 dist 8.10291 6.6258 7.67273 14.7684 9.83945 10.6379 numMergedOcc 0
36 mol 156 unq 0 iso 0 dist 7.30357 5.07967 7.30946 5.81563 8.21184 8.79853 numMergedOcc 0
37 mol 156 unq 1 iso 0 dist 7.30357 5.07967 7.30946 5.52796 5.41575 5.69209 numMergedOcc 0
38 mol 156 unq 2 iso 0 dist 9.00416 8.31653 6.05323 10.8404 8.21184 11.9671 numMergedOcc 0
39 mol 156 unq 3 iso 0 dist 9.00416 8.31653 6.05323 5.18356 5.9976 8.69711 numMergedOcc 0
40 mol 156 unq 4 iso 0 dist 9.44367 7.29758 5.81122 5.71511 8.37434 5.05683 numMergedOcc 0
41 mol 156 unq 5 iso 0 dist 7.90267 8.67156 5.81122 6.13574 8.37434 5.05683 numMergedOcc 0
42 mol 181 unq 0 iso 0 dist 6.2479 6.25083 9.06217 4.43096 7.32087 10.6325 numMergedOcc 0
43 mol 181 unq 1 iso 0 dist 6.2479 6.25083 9.06217 8.04639 8.86197 8.15174 numMergedOcc 0
44 mol 181 unq 2 iso 0 dist 6.2479 4.77278 7.13252 4.43096 7.32087 8.45963 numMergedOcc 0
45 mol 181 unq 3 iso 0 dist 6.2479 4.77278 7.13252 8.04639 8.86197 11.047 numMergedOcc 0
46 mol 181 unq 4 iso 0 dist 6.22122 10.5753 9.06217 6.06566 7.32087 10.6325 numMergedOcc 0
47 mol 181 unq 5 iso 0 dist 6.22122 10.5753 9.06217 13.0409 8.86197 8.15174 numMergedOcc 0
48 mol 181 unq 6 iso 0 dist 6.22122 5.88819 7.13252 6.06566 7.32087 8.45963 numMergedOcc 0
49 mol 181 unq 7 iso 0 dist 6.22122 5.88819 7.13252 13.0409 8.86197 11.047 numMergedOcc 0
50 mol 181 unq 8 iso 0 dist 6.59025 7.07409 6.32777 7.81713 8.86197 7.23063 numMergedOcc 0
51 mol 181 unq 9 iso 0 dist 6.59025 7.07409 6.32777 7.16549 5.94379 5.42554 numMergedOcc 0
52 mol 181 unq 10 iso 0 dist 7.99195 5.86342 9.06217 12.2164 7.32087 10.6325 numMergedOcc 0
53 mol 181 unq 11 iso 0 dist 7.99195 5.86342 9.06217 5.77299 8.86197 8.15174 numMergedOcc 0
54 mol 181 unq 12 iso 0 dist 7.99195 9.14057 7.13252 12.2164 7.32087 8.45963 numMergedOcc 0
55 mol 181 unq 13 iso 0 dist 7.99195 9.14057 7.13252 5.77299 8.86197 11.047 numMergedOcc 0
56 mol 181 unq 14 iso 0 dist 5.9176 9.60512 5.97685 6.29863 7.22883 11.2039 numMergedOcc 0
57 mol 181 unq 15 iso 0 dist 5.9176 13.3389 8.9289 6.29863 7.22883 15.9559 numMergedOcc 0
58 mol 181 unq 16 iso 0 dist 5.94469 6.7991 7.05653 9.69409 9.92471 9.67649 numMergedOcc 0
59 mol 192 unq 0 iso 0 dist 8.77999 5.71262 7.33225 12.717 6.60053 8.38671 numMergedOcc 0
60 mol 192 unq 1 iso 0 dist 8.77999 5.71262 7.33225 14.8459 9.36796 11.0721 numMergedOcc 0
61 mol 194 unq 0 iso 0 dist 6.72379 5.38925 9.3402 7.11753 6.38324 5.63279 numMergedOcc 0
62 mol 232 unq 0 iso 0 dist 8.50102 8.78722 7.17337 6.2188 9.78181 5.12599 numMergedOcc 0
63 mol 232 unq 1 iso 0 dist 8.50102 8.78722 7.17337 12.3508 9.8664 16.1253 numMergedOcc 0
64 mol 232 unq 2 iso 0 dist 9.40808 13.5597 7.17337 12.5452 9.78181 5.12599 numMergedOcc 0
65 mol 232 unq 3 iso 0 dist 9.40808 13.5597 7.17337 8.80479 9.8664 16.1253 numMergedOcc 0
66 mol 237 unq 0 iso 0 dist 9.16003 13.7089 9.27395 11.1554 8.10254 9.55218 numMergedOcc 0
67 mol 238 unq 0 iso 0 dist 8.69104 5.11565 6.62002 8.1195 5.92374 4.38002 numMergedOcc 0
68 mol 238 unq 1 iso 0 dist 8.69104 13.0842 9.69818 8.1195 5.92374 14.6816 numMergedOcc 0
69 mol 238 unq 2 iso 0 dist 8.69104 13.171 6.73446 8.1195 5.92374 11.5793 numMergedOcc 0
70 mol 238 unq 3 iso 0 dist 8.94014 10.8635 7.04753 5.50308 5.92374 9.71156 numMergedOcc 0
71 mol 238 unq 4 iso 0 dist 7.02333 5.68826 7.04753 7.11984 5.92374 9.71156 numMergedOcc 0
72 mol 238 unq 5 iso 0 dist 8.67864 4.87097 7.04753 7.95232 5.92374 9.71156 numMergedOcc 0
73 mol 265 unq 0 iso 0 dist 6.71375 4.65134 5.40318 10.0732 8.984 6.88401 numMergedOcc 0
74 mol 271 unq 0 iso 0 dist 8.98576 6.78222 5.81266 5.53238 5.92274 4.51983 numMergedOcc 0
75 mol 271 unq 1 iso 0 dist 8.92636 6.20098 5.81266 9.1619 5.92274 4.51983 numMergedOcc 0
76 mol 273 unq 0 iso 0 dist 8.83865 4.89568 8.68913 12.0136 7.16346 13.9948 numMergedOcc 0
77 mol 273 unq 1 iso 0 dist 9.18157 5.14347 8.68913 12.1851 7.16346 13.9948 numMergedOcc 0
