0 mol 44 unq 0 iso 0 dist 7.85573 10.1746 9.53901 7.37043 8.6578 15.0516 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 6.21423 9.23503 9.53901 6.36853 8.6578 15.0516 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.67403 16.6923 9.94756 14.3446 5.01022 8.88698 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 7.28917 4.16192 9.94756 4.91795 5.01022 8.88698 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.31624 10.0626 7.23435 15.1994 7.95383 8.20943 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.78545 14.5223 6.95094 12.2874 7.99116 9.58688 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 9.78545 14.5223 6.95094 17.5543 9.19481 7.8217 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 5.68726 9.08204 7.23435 12.2874 7.95383 8.20943 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 9.97998 11.7502 6.95094 7.81776 7.99116 9.58688 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 9.97998 11.7502 6.95094 13.9722 9.19481 7.8217 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 7.46882 6.44802 7.23435 7.81776 7.95383 8.20943 numMergedOcc 0
11 mol 83 unq 0 iso 0 dist 8.95808 5.86285 7.78306 7.07855 6.24063 9.2642 numMergedOcc 0
12 mol 83 unq 1 iso 0 dist 8.48766 11.8236 7.78306 11.0193 6.24063 9.2642 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 5.57712 5.99356 7.4658 4.98638 8.95491 8.42036 numMergedOcc 0
14 mol 102 unq 0 iso 0 dist 8.07962 7.92108 9.61113 5.65142 7.18097 10.8124 numMergedOcc 0
15 mol 102 unq 1 iso 0 dist 8.07962 4.9259 7.73836 5.65142 7.18097 6.09064 numMergedOcc 0
16 mol 102 unq 2 iso 0 dist 7.58908 4.51114 9.61113 6.51368 7.18097 10.8124 numMergedOcc 0
17 mol 102 unq 3 iso 0 dist 7.58908 9.29865 7.73836 6.51368 7.18097 6.09064 numMergedOcc 0
18 mol 108 unq 0 iso 0 dist 9.82453 10.5469 7.58484 8.04595 9.00216 6.23977 numMergedOcc 0
19 mol 108 unq 1 iso 0 dist 9.82453 10.5469 7.58484 5.83608 9.88683 6.20788 numMergedOcc 0
20 mol 108 unq 2 iso 0 dist 8.79452 7.94102 7.59313 8.04595 9.83301 4.28786 numMergedOcc 0
21 mol 131 unq 0 iso 0 dist 8.89412 10.3282 7.8034 9.98487 7.5344 11.8905 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 6.95914 3.80626 8.51265 8.37562 5.96907 11.6312 numMergedOcc 0
23 mol 141 unq 1 iso 0 dist 6.95914 3.80626 8.51265 12.6264 8.55099 12.0313 numMergedOcc 0
24 mol 151 unq 0 iso 0 dist 5.89907 4.39532 6.12385 7.48212 5.78631 5.95784 numMergedOcc 0
25 mol 173 unq 0 iso 0 dist 7.93816 4.56818 9.17063 4.20317 5.65801 7.90631 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 9.71223 13.4102 8.09373 11.5511 9.51006 7.56736 numMergedOcc 0
27 mol 226 unq 0 iso 0 dist 8.10096 12.8829 9.05082 7.77366 5.01717 7.21532 numMergedOcc 0
28 mol 250 unq 0 iso 0 dist 8.62074 11.1655 9.08048 6.97343 8.40871 5.33102 numMergedOcc 0
29 mol 270 unq 0 iso 0 dist 6.72681 9.8347 7.65449 4.60947 9.22297 8.29488 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 7.62562 7.60168 7.59956 13.1644 9.77134 6.18003 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 7.62562 4.77555 8.05503 13.1644 9.77134 15.7578 numMergedOcc 0
32 mol 274 unq 2 iso 0 dist 7.62562 6.30262 5.59151 13.1644 9.77134 14.2728 numMergedOcc 0
