0 mol 7 unq 0 iso 0 dist 9.49373 8.23909 5.37308 13.823 12.421 9.60499 13.7145 7.11539 6.02702 8.43473 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.22054 9.85726 14.9736 11.5784 17.5263 9.60499 5.25379 11.7737 6.7985 6.55304 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.22054 9.85726 14.9736 11.5784 17.5263 9.60499 5.03532 9.99746 6.44736 12.2869 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 9.70374 7.45487 10.1093 5.43751 12.5407 9.62879 7.07501 13.2968 7.18019 4.36226 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.34846 9.90845 6.85527 9.59761 12.0295 8.86116 14.9821 10.9641 8.60554 8.52463 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 9.34846 9.90845 6.85527 9.59761 12.0295 8.86116 13.0288 14.8332 8.44664 10.971 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 9.34846 9.90845 6.85527 9.59761 12.0295 8.86116 18.8056 15.21 9.44691 13.4893 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 9.34846 9.90845 6.85527 9.89489 13.7153 8.38394 14.9821 10.9641 8.60554 12.3994 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 9.34846 9.90845 6.85527 9.89489 13.7153 8.38394 13.0288 14.8332 8.44664 5.30734 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 9.34846 9.90845 6.85527 9.89489 13.7153 8.38394 18.8056 15.21 9.44691 12.505 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 9.85342 9.74445 13.6782 10.323 17.681 8.80331 10.7304 19.3509 8.95682 6.18002 numMergedOcc 0
11 mol 43 unq 1 iso 0 dist 9.85342 9.74445 13.6782 14.445 19.5448 6.20293 10.7304 19.3509 8.95682 8.38399 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 9.53895 9.42766 8.82375 14.0677 13.0414 8.73993 13.1831 14.7893 6.52773 7.20179 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 9.53895 9.42766 8.82375 14.0677 13.0414 8.73993 6.34278 7.89317 9.23858 9.89358 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 6.00667 9.48243 6.55423 11.6637 13.8341 9.91388 11.7748 13.7054 9.97654 4.34568 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 8.03534 8.43584 16.0759 12.4616 17.0808 9.61492 5.42117 12.8953 4.8668 9.13652 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 8.03534 8.43584 16.0759 10.6123 17.9919 7.45763 5.42117 12.8953 4.8668 5.8535 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 8.14122 9.67457 9.53948 5.82028 10.5926 6.18308 11.6718 15.1994 7.10826 5.87279 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 8.40945 9.8711 6.29733 4.90657 10.2501 9.23153 4.39102 4.54224 6.59716 7.11498 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 7.81237 9.8711 13.3213 4.90657 5.39218 9.23153 4.39102 10.6444 6.59716 7.11498 numMergedOcc 0
20 mol 229 unq 0 iso 0 dist 7.32814 9.84492 5.88282 11.9226 12.1268 8.22528 10.8309 9.55385 8.66332 6.65022 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 8.73584 8.91685 12.0171 5.25611 13.313 7.57994 13.4788 17.0017 5.48118 10.7772 numMergedOcc 0
22 mol 249 unq 1 iso 0 dist 8.73584 8.91685 12.0171 9.66184 16.2652 6.18582 13.4788 17.0017 5.48118 7.04666 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 6.66413 7.93997 6.82055 14.8465 12.2264 7.46176 10.9643 12.8774 7.08526 8.81835 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 8.27284 6.75305 4.41644 10.0289 10.1878 6.24356 6.28052 9.65079 5.93616 7.52936 numMergedOcc 0
