0 mol 4 unq 0 iso 0 dist 6.34563 3.25279 7.77633 9.80438 7.02535 8.68164 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 9.35248 4.90916 7.61139 10.1439 4.8515 7.99756 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 9.35248 6.3965 6.54552 10.1439 4.8515 4.36087 numMergedOcc 0
3 mol 20 unq 2 iso 0 dist 9.35248 6.3965 6.54552 11.7373 3.51645 7.09639 numMergedOcc 0
4 mol 20 unq 3 iso 0 dist 9.55415 9.45728 7.61139 7.17695 4.8515 7.99756 numMergedOcc 0
5 mol 20 unq 4 iso 0 dist 9.55415 4.76485 6.54552 7.17695 4.8515 4.36087 numMergedOcc 0
6 mol 20 unq 5 iso 0 dist 9.55415 4.76485 6.54552 9.33207 3.51645 7.09639 numMergedOcc 0
7 mol 53 unq 0 iso 0 dist 9.33754 7.45484 9.31516 15.8633 17.6735 9.32314 numMergedOcc 0
8 mol 63 unq 0 iso 0 dist 7.89201 8.17555 8.77624 13.5118 10.9354 8.78414 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 6.88786 6.56256 6.37273 5.57551 5.37935 8.19932 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 8.71103 3.45432 8.0318 10.2786 5.67799 9.21761 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 9.28585 5.82228 8.48639 10.6901 3.78122 7.62463 numMergedOcc 0
12 mol 110 unq 0 iso 0 dist 6.70591 10.3414 9.24252 13.3512 7.32685 9.25023 numMergedOcc 0
13 mol 110 unq 1 iso 0 dist 5.43052 10.3403 9.24252 11.9096 7.32685 9.25023 numMergedOcc 0
14 mol 139 unq 0 iso 0 dist 9.99665 11.247 9.07404 17.8027 10.9371 8.83962 numMergedOcc 0
15 mol 139 unq 1 iso 0 dist 8.27507 4.37138 9.07404 11.0737 10.9371 8.83962 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 6.95914 3.97541 4.33805 10.3033 4.20944 7.56563 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 8.77869 13.5522 9.95076 11.5848 4.95423 8.91326 numMergedOcc 0
18 mol 162 unq 1 iso 0 dist 8.77869 12.6287 7.76112 11.5848 4.95423 8.33649 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 9.71223 3.6848 9.82338 6.99587 5.56574 9.17458 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 9.71223 3.6848 9.82338 4.37577 7.76011 7.36794 numMergedOcc 0
21 mol 186 unq 2 iso 0 dist 9.71223 5.33968 7.99933 6.99587 5.56574 6.94594 numMergedOcc 0
22 mol 186 unq 3 iso 0 dist 9.71223 5.33968 7.99933 4.37577 7.76011 5.81881 numMergedOcc 0
23 mol 217 unq 0 iso 0 dist 5.89788 3.59923 5.27487 8.82691 4.90493 6.19602 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 6.74371 7.07952 5.07975 14.3121 12.2754 8.88902 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 6.71398 6.08388 5.38046 11.0565 4.61829 9.24564 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 9.19579 6.76489 8.07313 6.46793 12.5873 9.53137 numMergedOcc 0
27 mol 257 unq 0 iso 0 dist 9.02271 9.80762 5.81865 15.3817 7.56859 7.80473 numMergedOcc 0
