0 mol 17 unq 0 iso 0 dist 5.41678 9.13617 8.58468 9.31896 7.18716 11.7258 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 5.41678 5.02127 9.83791 9.31896 7.18716 12.3727 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 5.41678 4.88828 7.95007 9.31896 7.18716 13.7445 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 8.9175 15.0045 7.99735 8.42234 6.77802 9.165 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 9.43268 12.8956 5.99879 4.74723 8.6777 11.5541 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 6.75432 4.29159 6.30202 3.89181 7.49792 7.90686 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 6.24764 9.04544 9.37034 10.8634 8.15861 4.8069 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 6.24764 9.04544 9.37034 11.7351 9.27814 17.0484 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 6.24764 4.11312 6.60091 10.8634 8.15861 10.0178 numMergedOcc 0
9 mol 85 unq 3 iso 0 dist 6.24764 4.11312 6.60091 11.7351 9.27814 14.189 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 9.25793 9.63545 9.69413 4.3421 6.77993 6.65219 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 8.98691 6.17996 9.11115 13.5194 9.98215 8.58501 numMergedOcc 0
12 mol 96 unq 0 iso 0 dist 8.36933 6.1183 9.25941 13.8839 7.22615 11.9221 numMergedOcc 0
13 mol 96 unq 1 iso 0 dist 6.55474 7.07343 8.40684 4.47037 6.02608 10.7653 numMergedOcc 0
14 mol 96 unq 2 iso 0 dist 6.64899 5.98026 8.40684 8.85827 6.02608 10.7653 numMergedOcc 0
15 mol 96 unq 3 iso 0 dist 8.02307 7.13132 8.40684 12.4117 6.02608 10.7653 numMergedOcc 0
16 mol 96 unq 4 iso 0 dist 6.68473 8.82781 9.25941 3.92234 7.22615 11.9221 numMergedOcc 0
17 mol 103 unq 0 iso 0 dist 6.95777 11.0439 9.42064 4.39733 9.75833 10.1277 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 6.8631 8.60466 5.89811 9.59663 8.20259 5.81094 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 5.00508 7.26324 9.19442 5.9338 7.45508 11.6389 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 5.00508 7.26324 9.19442 8.28284 5.79883 10.1445 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 7.38265 11.1283 6.77021 6.55101 4.98907 5.05766 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 7.68949 11.1483 6.77021 11.4781 4.98907 5.05766 numMergedOcc 0
23 mol 281 unq 0 iso 0 dist 9.79394 13.3861 7.90993 16.2332 7.43535 12.4082 numMergedOcc 0
24 mol 281 unq 1 iso 0 dist 6.52115 3.90611 7.90993 12.9503 7.43535 12.4082 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 8.62338 9.62966 4.75392 7.52677 8.15636 5.15725 numMergedOcc 0
26 mol 287 unq 1 iso 0 dist 8.62338 9.62966 4.75392 9.46641 7.86292 7.67235 numMergedOcc 0
27 mol 287 unq 2 iso 0 dist 8.62338 13.7068 8.61667 7.52677 8.15636 7.46917 numMergedOcc 0
28 mol 287 unq 3 iso 0 dist 8.62338 13.7068 8.61667 9.46641 7.86292 7.99757 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 8.62338 9.62966 4.75392 7.52677 8.15636 5.15725 numMergedOcc 0
30 mol 288 unq 1 iso 0 dist 8.62338 9.62966 4.75392 9.46641 7.86292 7.67235 numMergedOcc 0
31 mol 288 unq 2 iso 0 dist 8.62338 13.7068 8.61667 7.52677 8.15636 7.46917 numMergedOcc 0
32 mol 288 unq 3 iso 0 dist 8.62338 13.7068 8.61667 9.46641 7.86292 7.99757 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 8.62338 9.62966 4.75392 7.52677 8.15636 5.15725 numMergedOcc 0
34 mol 289 unq 1 iso 0 dist 8.62338 9.62966 4.75392 9.46641 7.86292 7.67235 numMergedOcc 0
35 mol 289 unq 2 iso 0 dist 8.62338 13.7068 8.61667 7.52677 8.15636 7.46917 numMergedOcc 0
36 mol 289 unq 3 iso 0 dist 8.62338 13.7068 8.61667 9.46641 7.86292 7.99757 numMergedOcc 0
37 mol 294 unq 0 iso 0 dist 9.03579 6.49126 5.25409 4.63586 7.58948 3.33848 numMergedOcc 0
