0 mol 16 unq 0 iso 0 dist 8.59049 6.21616 6.86055 5.70228 4.7319 7.65889 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.59049 6.21616 6.86055 5.61445 11.0958 6.42835 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.59049 9.45103 12.9201 5.61445 11.0958 6.57331 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 8.59049 9.45103 12.9201 12.5048 15.8605 8.43054 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.23095 9.39274 4.77954 11.5983 6.03987 7.99919 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 9.22151 9.95169 5.18617 4.96681 7.57578 9.48085 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 9.22151 9.95169 5.18617 12.2441 12.7009 9.49421 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 6.22122 9.95169 5.68041 4.96681 7.17969 9.48085 numMergedOcc 0
8 mol 25 unq 4 iso 0 dist 6.22122 9.95169 5.68041 12.2441 12.8117 9.49421 numMergedOcc 0
9 mol 52 unq 0 iso 0 dist 7.70026 8.01537 6.68648 7.32157 11.1139 9.12226 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 6.7212 8.16985 7.47371 10.1721 10.8086 9.74228 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 6.7212 8.16985 7.47371 11.6369 9.96708 7.12321 numMergedOcc 0
12 mol 72 unq 2 iso 0 dist 6.7212 8.16985 7.47371 6.12361 9.78528 6.21799 numMergedOcc 0
13 mol 72 unq 3 iso 0 dist 6.7212 7.81344 9.67587 6.12361 9.78528 5.03251 numMergedOcc 0
14 mol 72 unq 4 iso 0 dist 6.7212 7.81344 9.67587 11.4334 15.1902 9.56773 numMergedOcc 0
15 mol 72 unq 5 iso 0 dist 6.7212 5.49421 7.07356 6.12361 9.78528 7.66093 numMergedOcc 0
16 mol 72 unq 6 iso 0 dist 9.08821 8.16985 8.59184 10.1721 15.6977 9.74228 numMergedOcc 0
17 mol 72 unq 7 iso 0 dist 9.08821 8.16985 8.59184 11.6369 13.9308 7.12321 numMergedOcc 0
18 mol 72 unq 8 iso 0 dist 9.08821 8.16985 8.59184 6.12361 12.4486 6.21799 numMergedOcc 0
19 mol 72 unq 9 iso 0 dist 9.08821 7.81344 10.04 6.12361 12.4486 5.03251 numMergedOcc 0
20 mol 72 unq 10 iso 0 dist 9.08821 7.81344 10.04 11.4334 18.2395 9.56773 numMergedOcc 0
21 mol 72 unq 11 iso 0 dist 9.08821 5.49421 5.84044 6.12361 12.4486 7.66093 numMergedOcc 0
22 mol 76 unq 0 iso 0 dist 6.62246 8.8326 5.31985 15.957 10.0992 8.13108 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 8.05602 4.79891 7.03983 4.72129 6.48948 7.02507 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 8.96916 5.30117 6.30222 5.92158 6.45675 5.35782 numMergedOcc 0
25 mol 100 unq 1 iso 0 dist 5.70279 5.30117 5.47563 5.92158 7.47343 5.35782 numMergedOcc 0
26 mol 117 unq 0 iso 0 dist 8.81172 8.54233 6.57678 5.34484 9.84395 6.10127 numMergedOcc 0
27 mol 129 unq 0 iso 0 dist 6.23966 8.46972 6.28232 10.1294 10.1333 5.51197 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 9.79004 4.79003 6.9945 7.33132 8.22656 7.22643 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 8.43069 4.79003 4.19723 7.33132 6.82262 7.22643 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 5.22024 7.49352 4.63567 10.5666 9.47394 5.35237 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 5.22024 7.49352 4.63567 14.3463 12.3971 7.99477 numMergedOcc 0
32 mol 142 unq 0 iso 0 dist 7.15087 5.90339 4.67662 8.68855 9.2313 7.81207 numMergedOcc 0
33 mol 142 unq 1 iso 0 dist 7.15087 5.90339 4.67662 5.50176 5.31024 6.14151 numMergedOcc 0
34 mol 144 unq 0 iso 0 dist 9.81485 6.03283 8.65006 10.6591 12.8215 7.64028 numMergedOcc 0
35 mol 155 unq 0 iso 0 dist 5.68636 8.14405 4.91785 7.92939 6.43582 8.97626 numMergedOcc 0
36 mol 217 unq 0 iso 0 dist 6.74267 6.72624 5.60586 4.92005 11.1669 9.62437 numMergedOcc 0
37 mol 222 unq 0 iso 0 dist 5.47561 8.51427 6.84862 5.60111 7.21333 5.56538 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 9.73411 5.31916 7.05804 8.98459 10.103 6.99769 numMergedOcc 0
39 mol 224 unq 1 iso 0 dist 9.73411 5.31916 7.05804 9.81806 6.57273 8.79428 numMergedOcc 0
40 mol 224 unq 2 iso 0 dist 9.73411 5.31916 7.05804 5.99647 5.78342 6.8692 numMergedOcc 0
41 mol 224 unq 3 iso 0 dist 7.75485 5.31916 4.54188 8.98459 10.9745 6.99769 numMergedOcc 0
42 mol 224 unq 4 iso 0 dist 7.75485 5.31916 4.54188 9.81806 10.5128 8.79428 numMergedOcc 0
43 mol 224 unq 5 iso 0 dist 7.75485 5.31916 4.54188 5.99647 5.81334 6.8692 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 5.75874 6.95658 6.73882 5.20592 8.53687 9.07743 numMergedOcc 0
45 mol 259 unq 1 iso 0 dist 5.75874 6.95658 6.73882 6.80302 10.5767 7.66153 numMergedOcc 0
46 mol 259 unq 2 iso 0 dist 8.57619 9.2885 4.04513 5.43184 5.30224 8.03219 numMergedOcc 0
47 mol 274 unq 0 iso 0 dist 5.82876 5.64169 5.22914 11.5127 12.3938 9.30212 numMergedOcc 0
48 mol 274 unq 1 iso 0 dist 8.71129 5.64169 10.2884 11.5127 13.5896 9.30212 numMergedOcc 0
49 mol 276 unq 0 iso 0 dist 8.79189 8.51449 8.26321 6.33662 6.87396 8.6759 numMergedOcc 0
50 mol 280 unq 0 iso 0 dist 8.80588 6.16546 4.90315 8.30978 6.53701 6.02353 numMergedOcc 0
51 mol 280 unq 1 iso 0 dist 8.80588 6.16546 4.90315 5.80223 6.0664 6.86234 numMergedOcc 0
