0 mol 8 unq 0 iso 0 dist 7.58816 8.5845 6.57999 17.0679 11.5556 9.01112 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 8.24798 4.25207 6.39243 6.39307 4.95319 5.65084 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 8.02079 4.25207 9.1715 6.39307 6.19959 5.65084 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 8.66843 5.68664 9.17045 8.69574 6.3858 5.94756 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 9.62336 10.1382 7.62791 13.3132 6.98976 6.9362 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 6.40355 10.1498 8.41567 11.8558 6.65453 6.72869 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 6.40355 4.57694 5.56964 11.8558 6.65453 9.85905 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.03472 4.56886 5.90776 10.9102 5.30951 7.13008 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 9.40274 5.1219 5.90776 9.54368 5.30951 7.13008 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.87592 6.59772 8.97043 9.47795 7.34308 6.39384 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 8.37388 4.86477 8.97043 9.29473 7.34308 6.39384 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 9.39697 8.95444 8.3705 13.0808 4.29894 9.03441 numMergedOcc 0
12 mol 218 unq 0 iso 0 dist 7.43427 5.53181 4.851 10.3502 6.13691 6.67404 numMergedOcc 0
13 mol 218 unq 1 iso 0 dist 7.50841 5.02331 4.851 10.863 6.13691 6.67404 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 5.83646 6.45589 7.64276 7.13727 4.48114 9.12776 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 9.87224 9.86326 6.83046 7.63381 8.15025 6.73665 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 7.30582 11.3529 8.98668 11.111 5.65355 7.95042 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 8.8643 7.84864 8.68797 10.632 5.03816 6.35028 numMergedOcc 0
18 mol 279 unq 1 iso 0 dist 9.24895 4.79698 5.70546 10.6184 6.39046 7.24366 numMergedOcc 0
19 mol 279 unq 2 iso 0 dist 8.34154 10.5081 5.70546 14.5051 6.39046 7.24366 numMergedOcc 0
20 mol 279 unq 3 iso 0 dist 5.90456 11.6042 8.68797 7.59142 5.03816 6.35028 numMergedOcc 0
