0 mol 26 unq 0 iso 0 dist 8.07937 16.0447 8.6112 13.3615 7.89667 7.07479 10.6139 5.3315 10.8071 8.31381 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.42206 4.20567 8.6112 3.63999 7.89667 7.07479 7.34549 5.3315 10.8071 8.31381 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.66602 9.87081 8.6112 13.5789 7.89667 7.07479 9.72289 5.3315 10.8071 8.31381 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 8.61468 14.2261 9.53794 13.4907 8.48827 17.4664 9.45835 7.17843 14.6085 7.91148 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 8.61468 14.2261 9.53794 10.4533 7.14048 16.6402 9.45835 7.17843 14.6085 6.59794 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 8.61468 11.1106 9.84346 13.4907 8.48827 15.9532 9.45835 7.17843 9.23023 7.91148 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 8.61468 11.1106 9.84346 10.4533 7.14048 14.6188 9.45835 7.17843 9.23023 6.59794 numMergedOcc 0
7 mol 78 unq 4 iso 0 dist 6.27186 11.1106 9.46472 13.4907 8.03895 15.9532 9.45835 4.4651 9.23023 7.91148 numMergedOcc 0
8 mol 78 unq 5 iso 0 dist 6.27186 11.1106 9.46472 10.4533 5.68873 14.6188 9.45835 4.4651 9.23023 6.59794 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 8.28452 6.68968 9.64281 3.7042 7.08403 5.96967 8.29529 14.0364 8.89481 7.02367 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 8.44004 12.1395 9.64281 12.5507 7.08403 5.96967 18.9382 14.0364 8.89481 7.02367 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 5.7232 6.45157 7.12336 4.88335 8.52036 5.56456 14.1499 16.4238 10.0854 9.72387 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 8.0302 6.39449 9.70977 3.48408 6.41183 9.17108 12.2525 5.91683 15.3277 9.3273 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 6.65051 4.67765 9.70977 5.71838 6.41183 9.17108 11.4589 5.91683 15.3277 9.3273 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 9.41519 4.37189 9.70977 10.616 6.41183 9.17108 14.5087 5.91683 15.3277 9.3273 numMergedOcc 0
15 mol 183 unq 0 iso 0 dist 8.53483 5.27994 8.15747 13.7852 7.16035 13.3248 17.9523 10.0008 17.9969 9.96536 numMergedOcc 0
16 mol 183 unq 1 iso 0 dist 8.53483 13.4834 5.44125 13.7852 7.16035 3.4049 17.9523 10.0008 7.07224 9.96536 numMergedOcc 0
17 mol 183 unq 2 iso 0 dist 8.58404 5.50571 8.15747 11.9399 7.16035 13.3248 17.0649 10.0008 17.9969 9.96536 numMergedOcc 0
18 mol 183 unq 3 iso 0 dist 8.58404 11.5857 5.44125 11.9399 7.16035 3.4049 17.0649 10.0008 7.07224 9.96536 numMergedOcc 0
19 mol 183 unq 4 iso 0 dist 8.1126 5.50571 8.74903 11.9399 9.61725 13.3248 17.0649 9.95614 17.9969 9.96536 numMergedOcc 0
20 mol 183 unq 5 iso 0 dist 8.1126 11.5857 7.11505 11.9399 9.61725 3.4049 17.0649 9.95614 7.07224 9.96536 numMergedOcc 0
21 mol 183 unq 6 iso 0 dist 8.50695 9.60638 8.7143 7.39071 9.01531 3.4049 15.2229 9.81623 7.07224 9.96536 numMergedOcc 0
22 mol 196 unq 0 iso 0 dist 5.76319 7.42251 7.556 5.97525 6.10505 7.96489 7.84536 4.57882 6.25429 4.67869 numMergedOcc 0
23 mol 196 unq 1 iso 0 dist 5.30132 10.0417 7.556 4.22321 6.10505 7.96489 7.07723 4.57882 6.25429 4.67869 numMergedOcc 0
24 mol 196 unq 2 iso 0 dist 8.36119 7.06113 7.556 10.866 6.10505 7.96489 10.6609 4.57882 6.25429 4.67869 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 7.02076 3.81162 5.86892 9.06758 8.71119 11.1928 12.6977 11.8779 14.983 9.19385 numMergedOcc 0
26 mol 253 unq 1 iso 0 dist 7.02076 3.81162 5.86892 9.06758 8.71119 11.1928 17.1511 15.4152 19.3531 9.1927 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 6.83706 11.3955 5.30455 3.94409 6.69951 9.58753 10.0986 8.70769 9.12507 8.25897 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 6.83706 9.8442 6.8184 3.94409 6.69951 6.78897 10.0986 8.70769 9.57887 8.25897 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 8.88961 3.86056 8.89372 11.7154 7.48987 11.5334 12.0075 5.57606 13.284 7.56669 numMergedOcc 0
