0 mol 7 unq 0 iso 0 dist 6.24628 8.48743 8.63198 5.93318 8.23909 13.2935 numMergedOcc 0
1 mol 102 unq 0 iso 0 dist 8.63253 8.84131 6.42572 8.90571 9.01767 7.36792 numMergedOcc 0
2 mol 102 unq 1 iso 0 dist 5.15752 8.84131 5.54551 5.26061 9.43411 12.0341 numMergedOcc 0
3 mol 102 unq 2 iso 0 dist 5.15752 8.84131 5.54551 8.90571 9.80678 7.36792 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 8.35267 9.26438 11.8891 10.4339 6.31633 15.7525 numMergedOcc 0
5 mol 109 unq 1 iso 0 dist 8.35267 9.26438 11.8891 4.91393 7.21115 13.1098 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 8.90273 6.37528 6.98664 9.83765 6.86946 11.8322 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.34402 8.66715 6.80292 10.5271 9.4473 14.0219 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 8.34402 9.00172 11.8155 10.5271 9.4473 18.5928 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 8.07957 8.95433 6.80292 16.9748 9.4473 14.0219 numMergedOcc 0
10 mol 197 unq 0 iso 0 dist 9.64653 9.7541 4.6678 16.0709 8.64255 12.1443 numMergedOcc 0
11 mol 222 unq 0 iso 0 dist 8.81385 7.88846 4.28891 6.17038 8.7347 7.54212 numMergedOcc 0
12 mol 231 unq 0 iso 0 dist 6.00509 6.02527 5.3251 6.68357 7.79865 7.37839 numMergedOcc 0
13 mol 231 unq 1 iso 0 dist 6.00509 6.02527 5.3251 7.6832 6.14348 8.40182 numMergedOcc 0
14 mol 234 unq 0 iso 0 dist 7.62438 8.00095 4.67725 5.89263 5.89084 9.45579 numMergedOcc 0
15 mol 234 unq 1 iso 0 dist 7.62438 8.00095 4.67725 12.6792 8.47009 12.4862 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 9.86445 5.77925 10.054 10.5925 8.77254 8.35971 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 9.86445 5.77925 10.054 15.0257 9.96976 14.664 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 8.75137 7.79723 6.6173 10.7823 5.78121 11.7594 numMergedOcc 0
19 mol 249 unq 1 iso 0 dist 8.75137 7.79723 6.6173 4.24754 7.29898 7.57994 numMergedOcc 0
20 mol 249 unq 2 iso 0 dist 8.75137 8.14526 8.95486 10.7823 5.78121 12.2913 numMergedOcc 0
21 mol 249 unq 3 iso 0 dist 8.75137 8.14526 8.95486 4.24754 7.29898 6.18582 numMergedOcc 0
22 mol 249 unq 4 iso 0 dist 7.82699 7.79723 5.25611 4.24754 8.91685 7.57994 numMergedOcc 0
23 mol 249 unq 5 iso 0 dist 7.82699 8.14526 9.66184 4.24754 8.91685 6.18582 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 8.24507 9.79022 9.45651 12.0564 8.90885 17.4399 numMergedOcc 0
25 mol 273 unq 1 iso 0 dist 8.24507 9.79022 9.45651 14.7847 9.96963 19.4004 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 5.73065 9.38793 12.4605 8.05749 8.57532 12.1282 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 5.73065 9.38793 12.4605 13.2922 9.02914 16.3787 numMergedOcc 0
28 mol 277 unq 2 iso 0 dist 5.73065 9.38793 12.4605 11.9195 6.90434 14.8559 numMergedOcc 0
