0 mol 48 unq 0 iso 0 dist 8.06519 7.77714 14.0438 5.45972 9.15275 12.3186 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 7.54027 7.77714 10.6879 6.53592 9.35075 9.9555 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 7.54027 7.77714 10.6879 5.45972 9.7772 12.3186 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 8.12546 8.02004 6.21973 5.30529 7.39468 9.07969 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 8.12546 8.02004 6.21973 6.60498 5.55714 9.61448 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 8.12546 8.02004 6.21973 5.58768 9.85287 12.4065 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.86463 9.5345 5.58111 15.0117 9.47628 5.79157 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.86463 7.61405 5.76533 15.0117 9.47628 11.748 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 8.06502 9.04246 9.74711 9.96015 6.90069 15.2425 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 9.17333 7.26891 5.21599 11.2845 6.91511 11.2218 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 8.41494 9.4588 4.98693 5.44287 8.41456 7.7734 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 6.55345 8.3311 7.4314 6.3479 9.62225 7.578 numMergedOcc 0
12 mol 192 unq 1 iso 0 dist 6.55345 7.6168 9.81428 6.3479 9.62225 9.24926 numMergedOcc 0
13 mol 192 unq 2 iso 0 dist 6.55345 4.95155 6.38465 6.3479 9.62225 9.85381 numMergedOcc 0
14 mol 217 unq 0 iso 0 dist 6.60582 9.62606 10.0156 3.64097 6.72624 12.8776 numMergedOcc 0
15 mol 217 unq 1 iso 0 dist 6.60582 9.62606 10.0156 8.43469 4.92885 14.6994 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 7.10646 5.1498 6.30987 4.48277 9.94612 9.03056 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 6.76938 8.82073 4.96479 9.59336 8.48003 9.71196 numMergedOcc 0
18 mol 243 unq 1 iso 0 dist 6.76938 8.82073 4.96479 5.70397 5.54003 7.89993 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 5.80603 8.87598 9.33289 5.13757 6.95658 13.6565 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 7.11407 5.78449 5.2842 9.46362 8.39635 9.60873 numMergedOcc 0
