0 mol 25 unq 0 iso 0 dist 9.23015 8.97282 8.07318 13.2682 6.47509 6.55597 4.93826 5.77745 5.23233 8.6396 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.23015 4.54526 7.44277 8.94828 5.63212 4.79873 4.93826 5.77745 6.29702 8.40051 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 5.91019 13.2897 8.46627 11.5741 5.9144 5.61588 18.9366 13.7119 10.8798 8.06168 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 5.91019 13.2897 8.46627 11.5741 5.9144 5.61588 11.8317 9.762 10.8441 8.67532 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 5.91019 14.1134 9.22208 11.5741 5.9144 7.83244 18.9366 13.7119 13.7267 8.06168 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 5.91019 14.1134 9.22208 11.5741 5.9144 7.83244 11.8317 9.762 15.2203 8.67532 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 9.28726 10.8273 9.59729 19.3033 15.4159 9.85905 24.2083 22.3883 16.3337 8.58841 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 6.62354 7.53887 9.09348 9.26438 5.00433 7.07971 9.97562 9.94704 8.08642 8.3164 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 8.00085 7.83378 9.09348 6.43255 5.00433 7.07971 13.5611 9.94704 8.08642 8.3164 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 8.54304 9.02908 7.65564 11.172 6.01673 9.42082 11.363 9.5681 12.6105 5.02717 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 6.14652 11.6261 8.62504 9.14415 4.46337 9.66543 13.5949 8.78303 4.63732 9.60369 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 6.14652 11.6261 8.62504 9.79337 7.41373 7.21868 15.1757 12.3555 3.76211 9.92932 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 6.14652 11.6261 8.62504 9.79337 7.41373 7.21868 13.5949 8.78303 4.63732 9.55556 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 6.14652 11.6261 8.62504 10.5814 10.8635 7.93372 15.1757 12.3555 3.76211 9.60411 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 9.11314 15.2752 9.29944 12.9413 4.78563 5.40637 16.7641 12.027 4.68518 8.30654 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 8.13526 4.94644 6.69042 13.8688 9.61454 9.10817 22.0021 17.1416 17.2264 8.3337 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 5.56977 10.4985 9.43017 16.8522 16.8346 7.46481 21.6984 23.1052 14.8375 9.51764 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 5.56977 10.4985 9.43017 16.8522 16.8346 7.46481 12.9647 13.4013 5.47184 5.36829 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 9.22453 10.3171 7.16209 7.151 11.2997 9.57499 12.4082 20.2068 17.8399 9.77689 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 9.22453 10.3171 7.16209 7.151 11.2997 9.57499 7.47195 10.3461 6.17642 8.51931 numMergedOcc 0
20 mol 277 unq 2 iso 0 dist 9.22453 10.3171 7.16209 8.53324 4.40029 5.46926 7.47195 10.3461 6.17642 8.96343 numMergedOcc 0
21 mol 277 unq 3 iso 0 dist 9.22453 10.3171 7.16209 7.23956 3.97543 8.9682 12.7088 11.7453 12.2421 9.29635 numMergedOcc 0
22 mol 277 unq 4 iso 0 dist 9.22453 10.6814 4.62936 8.53324 4.40029 5.13913 7.47195 10.3461 8.24206 8.96343 numMergedOcc 0
23 mol 277 unq 5 iso 0 dist 9.22453 10.6814 4.62936 7.23956 3.97543 6.92711 12.7088 11.7453 10.9521 9.29635 numMergedOcc 0
