0 mol 11 unq 0 iso 0 dist 6.84216 8.05213 4.79838 5.96346 6.76736 8.73067 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 8.01262 7.27724 5.67087 4.30695 6.03873 7.56871 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 6.58046 7.85924 5.25331 6.35398 6.51674 9.09091 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.7312 4.69858 6.38574 13.212 6.59113 9.85134 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.7312 4.69858 6.38574 6.41423 5.31883 5.82366 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 7.15542 4.84988 8.44353 11.8552 11.6319 7.34031 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 8.89047 4.84988 6.11249 11.8552 5.39812 7.34031 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 8.89003 4.84988 7.86326 11.8552 8.55482 7.34031 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 8.30217 14.9359 7.92479 10.436 3.68327 9.43355 numMergedOcc 0
9 mol 59 unq 1 iso 0 dist 8.30217 14.9359 7.92479 22.8464 15.3578 7.9327 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.23522 13.4082 7.78587 13.8696 7.98468 7.10439 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 9.10566 9.77992 7.78587 13.6162 7.98468 7.10439 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.62027 17.0996 7.78587 15.2532 7.98468 7.10439 numMergedOcc 0
13 mol 79 unq 0 iso 0 dist 5.25027 7.50972 7.90338 8.77598 5.25584 7.87237 numMergedOcc 0
14 mol 79 unq 1 iso 0 dist 4.37025 7.50972 7.08462 8.77598 5.79629 7.87237 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 7.69926 10.7963 5.61151 11.5566 5.22259 6.05495 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 5.85237 10.7963 6.54289 11.5566 7.66499 6.05495 numMergedOcc 0
17 mol 85 unq 2 iso 0 dist 9.11768 7.79293 6.54289 10.8523 7.66499 6.05495 numMergedOcc 0
18 mol 111 unq 0 iso 0 dist 5.98809 7.59143 7.75479 12.9634 8.11413 9.10794 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 8.99912 8.69934 5.45882 12.4163 11.746 7.33541 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 9.93438 8.88748 7.93956 6.84011 5.99273 5.79343 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 7.46621 7.57216 6.40751 9.79216 3.84623 5.52683 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 9.3273 4.29204 9.68074 11.9341 8.79381 8.75562 numMergedOcc 0
23 mol 141 unq 2 iso 0 dist 9.3273 4.29204 9.68074 9.87644 5.16197 8.00449 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 8.99891 5.44503 8.08798 9.14266 4.5497 9.30424 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 9.70481 5.88819 7.61421 6.22122 13.4378 7.13252 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 8.29467 6.7991 6.91878 5.94469 3.63671 7.05653 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 8.08965 4.65302 9.11149 9.55668 6.82702 7.95766 numMergedOcc 0
28 mol 237 unq 0 iso 0 dist 9.7255 6.56344 8.33629 7.41478 4.50383 5.98039 numMergedOcc 0
29 mol 237 unq 1 iso 0 dist 9.7255 6.56344 8.33629 10.985 9.41259 9.48932 numMergedOcc 0
30 mol 265 unq 0 iso 0 dist 5.7944 5.51535 5.94614 9.58094 6.31696 5.40318 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 9.18744 4.62998 7.77225 8.91712 3.96271 5.59555 numMergedOcc 0
32 mol 287 unq 1 iso 0 dist 5.30118 7.23534 5.50067 9.65934 5.39801 5.59555 numMergedOcc 0
33 mol 287 unq 2 iso 0 dist 8.98698 11.7115 5.50067 14.0537 5.39801 5.59555 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 9.18744 4.62998 7.77225 8.91712 3.96271 5.59555 numMergedOcc 0
35 mol 288 unq 1 iso 0 dist 5.30118 7.23534 5.50067 9.65934 5.39801 5.59555 numMergedOcc 0
36 mol 288 unq 2 iso 0 dist 8.98698 11.7115 5.50067 14.0537 5.39801 5.59555 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 9.18744 4.62998 7.77225 8.91712 3.96271 5.59555 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 5.30118 7.23534 5.50067 9.65934 5.39801 5.59555 numMergedOcc 0
39 mol 289 unq 2 iso 0 dist 8.98698 11.7115 5.50067 14.0537 5.39801 5.59555 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 9.96374 12.1551 3.93401 14.0184 4.30125 5.7131 numMergedOcc 0
