0 mol 41 unq 0 iso 0 dist 6.68599 5.36895 8.61524 9.90336 7.10635 14.2172 8.8712 8.45859 13.4686 3.97934 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 6.09042 8.27156 10.894 8.33049 9.65672 8.1599 9.29792 7.61377 15.8402 10.6356 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 8.32033 8.27307 7.76775 11.5849 7.21809 11.4076 12.3183 9.38568 14.2205 3.65947 numMergedOcc 0
3 mol 69 unq 1 iso 0 dist 8.32033 8.27307 7.76775 5.10938 5.69055 5.47319 12.3183 9.38568 14.2205 9.48385 numMergedOcc 0
4 mol 69 unq 2 iso 0 dist 8.32033 6.92837 13.1847 11.5849 7.21809 17.4028 12.3183 9.38568 18.8082 3.65947 numMergedOcc 0
5 mol 69 unq 3 iso 0 dist 8.32033 6.92837 13.1847 5.10938 5.69055 9.8809 12.3183 9.38568 18.8082 9.48385 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 7.90927 8.84131 9.9427 5.57291 9.22651 11.1118 13.541 9.51771 15.9196 10.0473 numMergedOcc 0
7 mol 102 unq 1 iso 0 dist 7.90927 8.84131 9.9427 6.91222 5.32892 12.0912 13.541 9.51771 15.9196 7.08749 numMergedOcc 0
8 mol 207 unq 0 iso 0 dist 4.70143 5.18312 7.53149 10.9621 8.27274 15.3007 3.6796 5.77532 8.78499 8.59463 numMergedOcc 0
9 mol 207 unq 1 iso 0 dist 4.70143 5.18312 7.53149 10.9621 8.27274 15.3007 7.34337 8.75785 12.1243 9.91526 numMergedOcc 0
10 mol 225 unq 0 iso 0 dist 8.33143 8.14464 14.7684 10.8895 7.47852 18.5869 16.0567 7.78392 21.6671 11.337 numMergedOcc 0
11 mol 225 unq 1 iso 0 dist 8.33143 8.14464 14.7684 11.8099 6.22332 18.1296 16.0567 7.78392 21.6671 7.99586 numMergedOcc 0
12 mol 225 unq 2 iso 0 dist 8.33143 9.93754 6.89798 10.8895 7.47852 10.689 16.0567 7.78392 11.8942 11.337 numMergedOcc 0
13 mol 225 unq 3 iso 0 dist 8.33143 9.93754 6.89798 11.8099 6.22332 12.2756 16.0567 7.78392 11.8942 7.99586 numMergedOcc 0
14 mol 273 unq 0 iso 0 dist 7.29081 9.79022 11.0966 15.0113 9.80002 17.9665 10.2633 8.13393 17.7665 14.1095 numMergedOcc 0
15 mol 273 unq 1 iso 0 dist 7.29081 9.79022 11.0966 13.9951 6.73794 16.1263 10.2633 8.13393 17.7665 10.5232 numMergedOcc 0
16 mol 285 unq 0 iso 0 dist 4.49395 6.44657 9.237 9.78456 5.76796 12.0919 5.32175 7.08681 5.03601 10.1123 numMergedOcc 0
17 mol 285 unq 1 iso 0 dist 4.49395 6.44657 9.237 9.78456 5.76796 12.0919 8.32005 4.95596 13.3277 7.01472 numMergedOcc 0
18 mol 285 unq 2 iso 0 dist 4.49395 6.44657 9.237 9.78456 5.76796 12.0919 7.07384 6.3508 13.1368 11.0045 numMergedOcc 0
19 mol 285 unq 3 iso 0 dist 4.49395 6.44657 9.237 9.78456 5.76796 12.0919 12.2276 8.3005 17.3828 8.2602 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 4.98604 7.95849 5.10722 4.91435 7.47179 7.26542 7.22067 8.73403 9.76232 5.42266 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 4.98604 7.95849 5.10722 4.91435 7.47179 7.26542 7.22067 8.73403 9.76232 5.42266 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 4.98604 7.95849 5.10722 4.91435 7.47179 7.26542 7.22067 8.73403 9.76232 5.42266 numMergedOcc 0
