0 mol 34 unq 0 iso 0 dist 8.50453 14.9196 8.55901 6.9246 8.38156 10.4688 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.50453 14.9196 8.55901 12.5287 7.79336 10.3961 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 8.50453 14.9196 8.55901 13.6582 7.08559 7.52709 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 8.50453 7.96309 9.03412 6.9246 8.38156 5.60198 numMergedOcc 0
4 mol 34 unq 4 iso 0 dist 8.50453 7.96309 9.03412 12.5287 7.79336 9.85481 numMergedOcc 0
5 mol 34 unq 5 iso 0 dist 8.50453 7.96309 9.03412 13.6582 7.08559 10.3431 numMergedOcc 0
6 mol 34 unq 6 iso 0 dist 6.74716 12.3045 8.55901 8.09738 8.38156 10.4688 numMergedOcc 0
7 mol 34 unq 7 iso 0 dist 6.74716 12.3045 8.55901 7.48264 7.79336 10.3961 numMergedOcc 0
8 mol 34 unq 8 iso 0 dist 6.74716 12.3045 8.55901 9.18464 7.08559 7.52709 numMergedOcc 0
9 mol 34 unq 9 iso 0 dist 6.74716 5.64947 9.03412 8.09738 8.38156 5.60198 numMergedOcc 0
10 mol 34 unq 10 iso 0 dist 6.74716 5.64947 9.03412 7.48264 7.79336 9.85481 numMergedOcc 0
11 mol 34 unq 11 iso 0 dist 6.74716 5.64947 9.03412 9.18464 7.08559 10.3431 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 7.95972 5.94737 8.59747 8.94836 7.93683 5.11318 numMergedOcc 0
13 mol 72 unq 1 iso 0 dist 7.95972 5.94737 8.59747 10.6185 6.7272 6.74416 numMergedOcc 0
14 mol 72 unq 2 iso 0 dist 7.95972 5.94737 8.59747 4.89334 7.64009 5.63793 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 5.43229 5.42714 7.99631 9.02908 8.0168 6.04071 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 5.43229 10.4008 6.40036 9.02908 8.0168 5.65471 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.59094 15.9809 9.94276 13.2035 9.10003 7.789 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 9.59094 16.8354 9.05357 13.2035 9.10003 6.11311 numMergedOcc 0
19 mol 133 unq 2 iso 0 dist 9.59094 9.0998 5.99299 13.2035 9.10003 5.74928 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 4.87879 5.24231 6.4218 8.17498 5.73203 5.58312 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 4.87879 5.24231 6.4218 10.9758 6.57379 9.61537 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 6.76614 6.43974 6.4218 6.6473 5.73203 5.58312 numMergedOcc 0
23 mol 134 unq 3 iso 0 dist 6.76614 6.43974 6.4218 10.3627 6.57379 9.61537 numMergedOcc 0
24 mol 134 unq 4 iso 0 dist 8.80672 9.87127 6.4218 6.67639 5.73203 5.58312 numMergedOcc 0
25 mol 134 unq 5 iso 0 dist 8.80672 9.87127 6.4218 4.4987 6.57379 9.61537 numMergedOcc 0
26 mol 213 unq 0 iso 0 dist 6.38872 11.3402 8.74171 5.36933 5.461 7.09198 numMergedOcc 0
27 mol 218 unq 0 iso 0 dist 5.66171 11.8596 8.57853 6.27279 8.61306 16.2592 numMergedOcc 0
28 mol 218 unq 1 iso 0 dist 5.66171 5.5349 6.75035 6.27279 8.61306 10.1772 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 6.31342 14.3602 8.75834 4.94099 5.93063 11.3004 numMergedOcc 0
30 mol 225 unq 1 iso 0 dist 6.31342 10.1591 9.36396 4.94099 5.93063 11.0634 numMergedOcc 0
31 mol 228 unq 0 iso 0 dist 9.79291 6.50793 7.09766 14.2513 8.66946 10.268 numMergedOcc 0
32 mol 228 unq 1 iso 0 dist 9.79291 6.50793 7.09766 11.0879 8.55761 5.73271 numMergedOcc 0
33 mol 233 unq 0 iso 0 dist 5.34745 9.82235 9.2911 6.49444 8.24424 9.35904 numMergedOcc 0
34 mol 233 unq 1 iso 0 dist 5.34745 9.82235 9.2911 6.63339 7.0942 5.88701 numMergedOcc 0
35 mol 233 unq 2 iso 0 dist 5.34745 9.82235 9.2911 9.86764 6.01775 9.59241 numMergedOcc 0
36 mol 233 unq 3 iso 0 dist 7.99897 14.1121 9.2911 9.1334 8.24424 9.35904 numMergedOcc 0
37 mol 233 unq 4 iso 0 dist 7.99897 14.1121 9.2911 9.81222 7.0942 5.88701 numMergedOcc 0
38 mol 233 unq 5 iso 0 dist 7.99897 14.1121 9.2911 5.17683 6.01775 9.59241 numMergedOcc 0
39 mol 233 unq 6 iso 0 dist 8.98366 4.37624 9.2911 12.3327 8.24424 9.35904 numMergedOcc 0
40 mol 233 unq 7 iso 0 dist 8.98366 4.37624 9.2911 8.89879 7.0942 5.88701 numMergedOcc 0
41 mol 233 unq 8 iso 0 dist 8.98366 4.37624 9.2911 9.7363 6.01775 9.59241 numMergedOcc 0
42 mol 234 unq 0 iso 0 dist 7.54327 9.68695 8.49841 16.363 9.11572 11.8229 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 9.07397 6.0873 6.5772 13.4501 7.39547 9.79637 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 8.91763 14.6519 6.5772 8.28104 7.39547 9.79637 numMergedOcc 0
45 mol 254 unq 0 iso 0 dist 9.16587 7.38711 6.03988 13.0023 9.66641 5.91806 numMergedOcc 0
46 mol 254 unq 1 iso 0 dist 9.16587 7.38711 6.03988 12.1584 9.26575 5.04088 numMergedOcc 0
47 mol 272 unq 0 iso 0 dist 6.27189 5.34124 6.75716 13.4399 8.84523 10.2399 numMergedOcc 0
48 mol 272 unq 1 iso 0 dist 6.27189 5.34124 6.75716 5.87335 6.95241 3.9539 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 8.38395 15.7916 8.49866 11.3961 6.66172 5.70568 numMergedOcc 0
