0 mol 5 unq 0 iso 0 dist 6.66949 6.72785 5.44356 12.1319 6.4543 9.21484 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 6.18007 6.54413 9.84488 8.91904 5.86761 8.73193 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.56722 7.08646 8.47637 15.2306 15.1121 8.9136 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 8.39335 3.84261 9.86479 6.22956 10.0772 6.40757 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 4.95504 6.17229 5.70283 13.1052 9.48254 8.6092 numMergedOcc 0
5 mol 81 unq 1 iso 0 dist 4.95504 8.36931 7.16741 10.9864 12.2335 8.82476 numMergedOcc 0
6 mol 81 unq 2 iso 0 dist 4.95504 8.36931 7.16741 15.4711 12.939 9.78923 numMergedOcc 0
7 mol 81 unq 3 iso 0 dist 4.95504 8.36931 7.16741 13.1052 9.48254 6.38981 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.27814 7.18472 7.67463 9.72945 14.8283 7.54915 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 8.92653 11.2682 6.9447 11.7622 4.98735 6.23889 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 7.97266 3.65935 9.24005 7.78459 6.56825 9.5771 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 7.97266 6.43064 7.88846 7.78459 6.56825 8.60452 numMergedOcc 0
12 mol 111 unq 0 iso 0 dist 5.53271 6.02783 7.24101 5.05141 4.88926 7.22098 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 6.98134 8.18719 7.39112 10.2753 5.21959 8.07119 numMergedOcc 0
14 mol 116 unq 1 iso 0 dist 8.55413 13.5312 7.39112 12.7313 5.21959 8.07119 numMergedOcc 0
15 mol 124 unq 0 iso 0 dist 8.06631 8.83242 9.0745 9.98988 3.75669 7.46623 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 8.20259 16.3871 9.41473 8.14413 5.30972 8.78286 numMergedOcc 0
17 mol 283 unq 0 iso 0 dist 9.82274 14.2357 9.90494 18.6041 13.4741 5.7378 numMergedOcc 0
18 mol 283 unq 1 iso 0 dist 9.82274 14.2357 9.90494 16.3937 11.413 7.15632 numMergedOcc 0
19 mol 283 unq 2 iso 0 dist 9.82274 7.50757 5.90121 14.1406 7.24296 6.91284 numMergedOcc 0
20 mol 283 unq 3 iso 0 dist 7.17276 8.40497 9.90494 13.4216 13.4741 5.7378 numMergedOcc 0
21 mol 283 unq 4 iso 0 dist 7.17276 8.40497 9.90494 10.5356 11.413 7.15632 numMergedOcc 0
22 mol 283 unq 5 iso 0 dist 7.17276 8.03948 5.90121 13.2545 7.24296 6.91284 numMergedOcc 0
