0 mol 10 unq 0 iso 0 dist 9.09015 7.70383 3.3748 5.24846 9.6309 9.23414 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.09015 7.70383 3.3748 7.83137 8.76873 10.0775 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 9.09015 7.70383 3.3748 9.24758 9.58981 11.2253 numMergedOcc 0
3 mol 10 unq 3 iso 0 dist 7.70383 9.09015 3.3748 5.24846 9.23414 9.6309 numMergedOcc 0
4 mol 10 unq 4 iso 0 dist 6.47424 6.97549 8.53083 11.9429 8.44792 16.1947 numMergedOcc 0
5 mol 10 unq 5 iso 0 dist 9.59744 8.37314 8.45469 4.17235 8.44792 4.94198 numMergedOcc 0
6 mol 10 unq 6 iso 0 dist 8.37314 9.59744 8.45469 4.17235 4.94198 8.44792 numMergedOcc 0
7 mol 10 unq 7 iso 0 dist 8.37314 9.59744 8.45469 4.60961 8.28764 12.0694 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 9.44 8.47634 2.75715 15.0126 7.96893 10.3461 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 8.44206 5.39792 5.26524 10.1556 8.03124 11.0505 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 9.78884 7.00542 5.26524 12.3435 8.03124 11.0505 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 8.42277 6.26653 3.11116 8.62597 7.93106 9.05575 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 8.42277 6.26653 3.11116 4.04119 7.04904 5.06053 numMergedOcc 0
13 mol 129 unq 2 iso 0 dist 6.26653 8.42277 3.11116 8.62597 9.05575 7.93106 numMergedOcc 0
14 mol 129 unq 3 iso 0 dist 6.26653 8.42277 3.11116 4.04119 5.06053 7.04904 numMergedOcc 0
15 mol 176 unq 0 iso 0 dist 8.00223 9.60695 4.75543 6.25297 7.26558 11.3766 numMergedOcc 0
16 mol 176 unq 1 iso 0 dist 8.5107 9.81187 8.21185 12.2988 9.09554 16.6876 numMergedOcc 0
17 mol 176 unq 2 iso 0 dist 8.5107 9.71347 6.79616 12.2988 9.09554 15.7743 numMergedOcc 0
18 mol 176 unq 3 iso 0 dist 8.5107 8.77405 3.47516 12.2988 9.09554 11.6003 numMergedOcc 0
19 mol 176 unq 4 iso 0 dist 8.90797 4.67031 8.21185 15.7575 9.09554 16.6876 numMergedOcc 0
20 mol 176 unq 5 iso 0 dist 8.90797 6.20326 6.79616 15.7575 9.09554 15.7743 numMergedOcc 0
21 mol 176 unq 6 iso 0 dist 8.90797 8.98043 6.34877 15.7575 9.09554 10.8313 numMergedOcc 0
22 mol 176 unq 7 iso 0 dist 8.90797 6.8243 3.47516 15.7575 9.09554 11.6003 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 9.38235 8.95509 8.55398 3.95188 8.49554 10.5306 numMergedOcc 0
24 mol 204 unq 1 iso 0 dist 9.38235 8.95509 8.55398 4.92057 8.29256 7.8274 numMergedOcc 0
25 mol 204 unq 2 iso 0 dist 8.95509 9.38235 8.55398 4.92057 7.8274 8.29256 numMergedOcc 0
26 mol 204 unq 3 iso 0 dist 7.15344 9.60981 8.15958 3.89328 9.12524 13.385 numMergedOcc 0
27 mol 204 unq 4 iso 0 dist 7.15344 9.98617 2.95898 3.89328 9.12524 11.443 numMergedOcc 0
28 mol 218 unq 0 iso 0 dist 9.08818 8.5163 7.80024 5.07198 7.68062 10.8126 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 7.45508 5.79883 12.7924 9.19611 8.53092 14.4938 numMergedOcc 0
30 mol 254 unq 0 iso 0 dist 7.94753 9.99046 2.67738 4.93882 9.09568 9.99168 numMergedOcc 0
31 mol 254 unq 1 iso 0 dist 7.94753 9.99046 2.67738 5.60874 7.84221 9.67383 numMergedOcc 0
32 mol 254 unq 2 iso 0 dist 9.99046 7.94753 2.67738 4.93882 9.99168 9.09568 numMergedOcc 0
33 mol 254 unq 3 iso 0 dist 9.99046 7.94753 2.67738 5.60874 9.67383 7.84221 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 5.77565 6.32853 5.57024 6.43955 8.25703 11.8712 numMergedOcc 0
35 mol 294 unq 0 iso 0 dist 8.81999 4.83062 11.8335 8.9836 9.64969 13.7806 numMergedOcc 0
36 mol 294 unq 1 iso 0 dist 8.81999 5.18334 12.3466 8.9836 9.64969 13.0318 numMergedOcc 0
37 mol 294 unq 2 iso 0 dist 5.18334 8.81999 12.3466 11.4279 7.48987 19.6846 numMergedOcc 0
38 mol 294 unq 3 iso 0 dist 5.18334 4.83062 4.59062 11.4279 7.48987 9.42655 numMergedOcc 0
39 mol 294 unq 4 iso 0 dist 6.44588 8.65363 4.59062 9.32276 7.48987 9.42655 numMergedOcc 0
