0 mol 2 unq 0 iso 0 dist 5.74846 6.13615 4.93584 7.16799 7.2721 4.03902 numMergedOcc 0
1 mol 2 unq 0 iso 1 dist 4.93584 6.13615 5.74846 4.03902 7.2721 7.16799 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.38691 4.0782 8.65986 8.92942 7.47395 11.253 numMergedOcc 0
3 mol 20 unq 0 iso 1 dist 8.65986 4.0782 9.38691 11.253 7.47395 8.92942 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 9.38691 6.55479 9.74724 8.92942 7.47395 12.4229 numMergedOcc 0
5 mol 20 unq 1 iso 1 dist 9.74724 6.55479 9.38691 12.4229 7.47395 8.92942 numMergedOcc 0
6 mol 20 unq 1 iso 0 dist 8.65986 4.11329 9.74724 11.253 7.47395 12.4229 numMergedOcc 0
7 mol 20 unq 1 iso 1 dist 9.74724 4.11329 8.65986 12.4229 7.47395 11.253 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 7.18124 14.4339 8.10168 7.19357 8.25818 13.7061 numMergedOcc 0
9 mol 24 unq 0 iso 1 dist 8.10168 14.4339 7.18124 13.7061 8.25818 7.19357 numMergedOcc 0
10 mol 30 unq 0 iso 0 dist 9.13786 7.07772 8.28218 3.30907 9.63882 9.23676 numMergedOcc 0
11 mol 30 unq 0 iso 1 dist 8.28218 7.07772 9.13786 9.23676 9.63882 3.30907 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 8.70827 7.24261 9.86479 8.43906 9.07629 14.7216 numMergedOcc 0
13 mol 78 unq 0 iso 1 dist 9.86479 7.24261 8.70827 14.7216 9.07629 8.43906 numMergedOcc 0
14 mol 78 unq 1 iso 0 dist 8.70827 7.24261 9.86479 12.2898 8.61143 16.1736 numMergedOcc 0
15 mol 78 unq 1 iso 1 dist 9.86479 7.24261 8.70827 16.1736 8.61143 12.2898 numMergedOcc 0
16 mol 123 unq 0 iso 0 dist 8.24171 11.0297 5.38148 3.00129 5.56127 8.56894 numMergedOcc 0
17 mol 123 unq 0 iso 1 dist 5.38148 11.0297 8.24171 8.56894 5.56127 3.00129 numMergedOcc 0
18 mol 123 unq 1 iso 0 dist 8.24171 11.0297 5.38148 12.1183 8.03692 3.21474 numMergedOcc 0
19 mol 123 unq 1 iso 1 dist 5.38148 11.0297 8.24171 3.21474 8.03692 12.1183 numMergedOcc 0
20 mol 123 unq 2 iso 0 dist 8.24171 11.0297 5.38148 10.7803 5.36214 9.94939 numMergedOcc 0
21 mol 123 unq 2 iso 1 dist 5.38148 11.0297 8.24171 9.94939 5.36214 10.7803 numMergedOcc 0
22 mol 123 unq 3 iso 0 dist 8.24171 7.51698 6.63094 3.00129 5.56127 5.2546 numMergedOcc 0
23 mol 123 unq 3 iso 1 dist 6.63094 7.51698 8.24171 5.2546 5.56127 3.00129 numMergedOcc 0
24 mol 123 unq 4 iso 0 dist 8.24171 7.51698 6.63094 12.1183 8.03692 12.6794 numMergedOcc 0
25 mol 123 unq 4 iso 1 dist 6.63094 7.51698 8.24171 12.6794 8.03692 12.1183 numMergedOcc 0
26 mol 123 unq 5 iso 0 dist 8.24171 7.51698 6.63094 10.7803 5.36214 5.79985 numMergedOcc 0
27 mol 123 unq 5 iso 1 dist 6.63094 7.51698 8.24171 5.79985 5.36214 10.7803 numMergedOcc 0
28 mol 123 unq 3 iso 0 dist 5.38148 10.0622 6.63094 8.56894 5.56127 5.2546 numMergedOcc 0
29 mol 123 unq 3 iso 1 dist 6.63094 10.0622 5.38148 5.2546 5.56127 8.56894 numMergedOcc 0
30 mol 123 unq 4 iso 0 dist 5.38148 10.0622 6.63094 3.21474 8.03692 12.6794 numMergedOcc 0
31 mol 123 unq 4 iso 1 dist 6.63094 10.0622 5.38148 12.6794 8.03692 3.21474 numMergedOcc 0
32 mol 123 unq 5 iso 0 dist 5.38148 10.0622 6.63094 9.94939 5.36214 5.79985 numMergedOcc 0
33 mol 123 unq 5 iso 1 dist 6.63094 10.0622 5.38148 5.79985 5.36214 9.94939 numMergedOcc 0
34 mol 131 unq 0 iso 0 dist 9.8911 6.75352 7.02043 4.86495 7.53342 3.38209 numMergedOcc 0
35 mol 131 unq 0 iso 1 dist 7.02043 6.75352 9.8911 3.38209 7.53342 4.86495 numMergedOcc 0
36 mol 214 unq 0 iso 0 dist 9.07582 4.08016 8.62183 13.7118 8.66082 14.3245 numMergedOcc 0
37 mol 214 unq 0 iso 1 dist 8.62183 4.08016 9.07582 14.3245 8.66082 13.7118 numMergedOcc 0
38 mol 230 unq 0 iso 0 dist 8.89873 7.09965 8.46558 3.28958 9.47092 9.06529 numMergedOcc 0
39 mol 230 unq 0 iso 1 dist 8.46558 7.09965 8.89873 9.06529 9.47092 3.28958 numMergedOcc 0
40 mol 268 unq 0 iso 0 dist 6.38058 3.96152 9.5334 6.58875 9.52476 9.70591 numMergedOcc 0
41 mol 268 unq 0 iso 1 dist 9.5334 3.96152 6.38058 9.70591 9.52476 6.58875 numMergedOcc 0
42 mol 283 unq 0 iso 0 dist 9.90494 12.4866 5.90121 12.6476 7.31132 3.31521 numMergedOcc 0
43 mol 283 unq 0 iso 1 dist 5.90121 12.4866 9.90494 3.31521 7.31132 12.6476 numMergedOcc 0
