0 mol 62 unq 0 iso 0 dist 6.09042 8.27156 10.894 8.33049 9.65672 8.1599 11.2147 9.11512 18.5792 14.3275 numMergedOcc 0
1 mol 102 unq 0 iso 0 dist 7.90927 8.84131 9.9427 5.57291 9.22651 11.1118 11.8843 8.03869 17.5393 12.1115 numMergedOcc 0
2 mol 102 unq 1 iso 0 dist 7.90927 8.84131 9.9427 6.91222 5.32892 12.0912 11.8843 8.03869 17.5393 7.26176 numMergedOcc 0
3 mol 139 unq 0 iso 0 dist 7.83417 9.81432 7.05966 4.71927 5.77343 10.9937 7.11333 8.78382 13.5462 4.19005 numMergedOcc 0
4 mol 139 unq 1 iso 0 dist 7.83417 5.11962 4.78289 4.71927 5.77343 6.34417 7.11333 8.78382 8.96275 4.19005 numMergedOcc 0
5 mol 187 unq 0 iso 0 dist 9.55621 9.38169 4.98423 10.2744 5.82577 9.36086 9.61673 5.58167 6.82787 10.7172 numMergedOcc 0
6 mol 187 unq 1 iso 0 dist 9.55621 9.38169 4.98423 10.2744 5.82577 9.36086 12.9459 8.0501 12.7503 4.75665 numMergedOcc 0
7 mol 225 unq 0 iso 0 dist 8.33143 8.14464 14.7684 10.8895 7.47852 18.5869 8.88571 7.65121 14.9243 5.9027 numMergedOcc 0
8 mol 225 unq 1 iso 0 dist 8.33143 8.14464 14.7684 11.8099 6.22332 18.1296 8.88571 7.65121 14.9243 4.95393 numMergedOcc 0
9 mol 225 unq 2 iso 0 dist 8.33143 9.93754 6.89798 10.8895 7.47852 10.689 8.88571 7.65121 13.147 5.9027 numMergedOcc 0
10 mol 225 unq 3 iso 0 dist 8.33143 9.93754 6.89798 11.8099 6.22332 12.2756 8.88571 7.65121 13.147 4.95393 numMergedOcc 0
11 mol 236 unq 0 iso 0 dist 5.46484 8.95071 6.49831 5.05085 5.6568 6.11137 5.81446 7.74348 5.90804 4.24722 numMergedOcc 0
12 mol 236 unq 1 iso 0 dist 8.80671 7.49412 6.81625 10.8749 5.6568 7.89744 14.8289 7.74348 10.7277 4.24722 numMergedOcc 0
13 mol 271 unq 0 iso 0 dist 7.34621 7.9494 4.87282 4.7953 7.29764 10.183 7.6271 9.00071 12.7676 4.80845 numMergedOcc 0
14 mol 273 unq 0 iso 0 dist 7.29081 9.79022 11.0966 15.0113 9.80002 17.9665 12.2394 5.78262 16.2765 5.87385 numMergedOcc 0
15 mol 273 unq 1 iso 0 dist 7.29081 9.79022 11.0966 15.0113 9.80002 17.9665 7.5139 7.6489 15.7926 10.5975 numMergedOcc 0
16 mol 273 unq 2 iso 0 dist 7.29081 9.79022 11.0966 13.9951 6.73794 16.1263 12.2394 5.78262 16.2765 3.92089 numMergedOcc 0
17 mol 273 unq 3 iso 0 dist 7.29081 9.79022 11.0966 13.9951 6.73794 16.1263 7.5139 7.6489 15.7926 12.0094 numMergedOcc 0
18 mol 285 unq 0 iso 0 dist 4.49395 6.44657 9.237 9.78456 5.76796 12.0919 9.47966 7.872 15.1926 11.2606 numMergedOcc 0
19 mol 285 unq 1 iso 0 dist 4.49395 6.44657 9.237 9.78456 5.76796 12.0919 6.49869 6.32984 8.46833 8.7778 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 4.98604 7.95849 5.10722 4.91435 7.47179 7.26542 5.51191 6.45597 9.32175 6.53276 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 4.98604 7.95849 5.10722 4.91435 7.47179 7.26542 5.51191 6.45597 9.32175 6.53276 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 4.98604 7.95849 5.10722 4.91435 7.47179 7.26542 5.51191 6.45597 9.32175 6.53276 numMergedOcc 0
