0 mol 43 unq 0 iso 0 dist 8.54999 9.72036 3.83842 6.66552 7.67459 7.80117 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.54999 9.3718 9.44478 6.66552 7.67459 13.2405 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 6.00684 6.29267 4.15002 8.68717 9.8089 11.592 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 6.00684 9.64361 8.46282 8.68717 9.8089 16.9734 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 9.69413 6.77993 6.65219 5.22926 7.94379 8.96446 numMergedOcc 0
5 mol 96 unq 0 iso 0 dist 8.40684 6.02608 10.7653 7.7528 8.71026 13.57 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 9.42064 9.75833 10.1277 11.3296 8.88401 12.3742 numMergedOcc 0
7 mol 124 unq 0 iso 0 dist 8.45451 8.06631 5.3096 5.20968 8.03603 9.66083 numMergedOcc 0
8 mol 212 unq 0 iso 0 dist 9.50443 8.13391 7.72226 8.78068 9.1732 13.8176 numMergedOcc 0
9 mol 212 unq 1 iso 0 dist 9.50443 8.4285 4.18876 8.78068 9.1732 11.7059 numMergedOcc 0
10 mol 233 unq 0 iso 0 dist 9.46821 6.45095 12.8448 17.1492 8.81929 21.5016 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 9.19442 7.45508 11.6389 11.1021 9.95252 9.71495 numMergedOcc 0
12 mol 239 unq 1 iso 0 dist 9.19442 7.45508 11.6389 4.30527 8.92121 7.14918 numMergedOcc 0
13 mol 239 unq 2 iso 0 dist 9.19442 5.79883 10.1445 11.1021 9.95252 15.6338 numMergedOcc 0
14 mol 239 unq 3 iso 0 dist 9.19442 5.79883 10.1445 4.30527 8.92121 9.29322 numMergedOcc 0
15 mol 281 unq 0 iso 0 dist 8.19366 9.34464 4.93084 5.39628 6.47753 9.49871 numMergedOcc 0
16 mol 281 unq 1 iso 0 dist 8.19366 9.34464 4.93084 7.203 9.69744 11.2035 numMergedOcc 0
17 mol 283 unq 0 iso 0 dist 8.57375 7.17276 7.97597 5.72409 6.93798 9.33601 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 4.75392 8.15636 5.15725 6.76834 8.44356 9.66279 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 4.75392 7.86292 7.67235 6.76834 8.44356 12.6003 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 4.75392 8.15636 5.15725 6.76834 8.44356 9.66279 numMergedOcc 0
21 mol 288 unq 1 iso 0 dist 4.75392 7.86292 7.67235 6.76834 8.44356 12.6003 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 4.75392 8.15636 5.15725 6.76834 8.44356 9.66279 numMergedOcc 0
23 mol 289 unq 1 iso 0 dist 4.75392 7.86292 7.67235 6.76834 8.44356 12.6003 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 5.25409 7.58948 3.33848 11.0408 8.46311 10.0032 numMergedOcc 0
