0 mol 43 unq 0 iso 0 dist 8.90024 6.84521 5.06502 15.4384 8.06275 12.0618 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.90024 6.78532 6.45462 15.4384 8.06275 14.4184 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 6.91739 8.30653 7.13583 5.54632 8.63742 11.7974 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 7.4389 7.24527 4.98336 15.5356 9.26438 13.8343 numMergedOcc 0
4 mol 109 unq 1 iso 0 dist 7.4389 7.24527 4.98336 7.25431 6.43255 9.27088 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 8.86938 7.42474 14.5975 5.62795 7.85583 10.2563 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 9.50575 8.64107 10.4152 10.8923 8.43116 16.449 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 8.43116 6.23645 6.5838 10.8923 9.50575 12.88 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.66715 9.00172 8.18495 15.1512 8.95433 13.7786 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 4.9155 4.68975 5.79898 7.36102 8.49987 9.64152 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 4.9155 4.68975 5.79898 11.0847 9.42271 9.15658 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 4.9155 8.84656 5.00817 7.36102 8.49987 13.0189 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 4.9155 8.84656 5.00817 11.0847 9.42271 10.5814 numMergedOcc 0
13 mol 134 unq 4 iso 0 dist 7.30919 8.31276 14.069 12.5581 8.94541 15.8408 numMergedOcc 0
14 mol 134 unq 5 iso 0 dist 7.30919 5.79157 8.25185 12.5581 8.94541 16.1301 numMergedOcc 0
15 mol 134 unq 6 iso 0 dist 7.30919 5.50687 6.90348 12.5581 8.94541 13.6391 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 6.32302 6.88694 5.57838 9.90084 8.53615 11.0334 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 9.03917 6.56775 8.31875 9.1359 5.60236 11.2471 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 8.89487 9.39537 15.8898 9.65483 6.94654 13.7556 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 8.89487 8.97461 6.85126 9.65483 6.94654 11.7526 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 7.151 8.53324 7.69449 11.3045 8.33977 8.66941 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 7.151 7.23956 11.8268 11.3045 8.33977 12.8481 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 8.53324 7.151 7.69449 11.3045 8.66941 8.33977 numMergedOcc 0
23 mol 277 unq 3 iso 0 dist 8.53324 7.23956 7.08227 11.3045 8.66941 12.8481 numMergedOcc 0
24 mol 277 unq 4 iso 0 dist 8.33977 8.66941 7.69449 11.3045 7.151 8.53324 numMergedOcc 0
25 mol 277 unq 5 iso 0 dist 8.66941 8.33977 7.69449 11.3045 8.53324 7.151 numMergedOcc 0
