0 mol 24 unq 0 iso 0 dist 9.40479 9.58012 13.4961 9.65174 13.3652 6.79749 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 9.58012 9.40479 13.4961 9.65174 6.79749 13.3652 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.72965 5.63315 12.4034 8.75468 7.39132 13.2225 numMergedOcc 0
3 mol 28 unq 0 iso 1 dist 5.63315 9.72965 12.4034 8.75468 13.2225 7.39132 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 9.72965 5.63315 12.4034 7.62989 5.28861 12.3695 numMergedOcc 0
5 mol 28 unq 1 iso 1 dist 5.63315 9.72965 12.4034 7.62989 12.3695 5.28861 numMergedOcc 0
6 mol 28 unq 2 iso 0 dist 9.72965 5.63315 12.4034 5.70238 6.94261 6.33375 numMergedOcc 0
7 mol 28 unq 2 iso 1 dist 5.63315 9.72965 12.4034 5.70238 6.33375 6.94261 numMergedOcc 0
8 mol 28 unq 3 iso 0 dist 9.72965 9.8465 10.0322 8.75468 7.39132 10.8134 numMergedOcc 0
9 mol 28 unq 3 iso 1 dist 9.8465 9.72965 10.0322 8.75468 10.8134 7.39132 numMergedOcc 0
10 mol 28 unq 4 iso 0 dist 9.72965 9.8465 10.0322 7.62989 5.28861 11.956 numMergedOcc 0
11 mol 28 unq 4 iso 1 dist 9.8465 9.72965 10.0322 7.62989 11.956 5.28861 numMergedOcc 0
12 mol 28 unq 5 iso 0 dist 9.72965 9.8465 10.0322 5.70238 6.94261 8.99305 numMergedOcc 0
13 mol 28 unq 5 iso 1 dist 9.8465 9.72965 10.0322 5.70238 8.99305 6.94261 numMergedOcc 0
14 mol 28 unq 3 iso 0 dist 5.63315 9.8465 8.71076 8.75468 13.2225 10.8134 numMergedOcc 0
15 mol 28 unq 3 iso 1 dist 9.8465 5.63315 8.71076 8.75468 10.8134 13.2225 numMergedOcc 0
16 mol 28 unq 4 iso 0 dist 5.63315 9.8465 8.71076 7.62989 12.3695 11.956 numMergedOcc 0
17 mol 28 unq 4 iso 1 dist 9.8465 5.63315 8.71076 7.62989 11.956 12.3695 numMergedOcc 0
18 mol 28 unq 5 iso 0 dist 5.63315 9.8465 8.71076 5.70238 6.33375 8.99305 numMergedOcc 0
19 mol 28 unq 5 iso 1 dist 9.8465 5.63315 8.71076 5.70238 8.99305 6.33375 numMergedOcc 0
20 mol 90 unq 0 iso 0 dist 7.51138 9.86843 8.04554 9.08732 11.2933 5.31762 numMergedOcc 0
21 mol 90 unq 0 iso 1 dist 9.86843 7.51138 8.04554 9.08732 5.31762 11.2933 numMergedOcc 0
22 mol 90 unq 1 iso 0 dist 7.51138 6.86146 8.25639 9.08732 11.2933 5.06489 numMergedOcc 0
23 mol 90 unq 1 iso 1 dist 6.86146 7.51138 8.25639 9.08732 5.06489 11.2933 numMergedOcc 0
24 mol 90 unq 2 iso 0 dist 7.51138 8.83296 12.234 9.08732 11.2933 5.30747 numMergedOcc 0
25 mol 90 unq 2 iso 1 dist 8.83296 7.51138 12.234 9.08732 5.30747 11.2933 numMergedOcc 0
26 mol 90 unq 1 iso 0 dist 9.86843 6.86146 5.13197 9.08732 5.31762 5.06489 numMergedOcc 0
27 mol 90 unq 1 iso 1 dist 6.86146 9.86843 5.13197 9.08732 5.06489 5.31762 numMergedOcc 0
28 mol 90 unq 2 iso 0 dist 9.86843 8.83296 8.66327 9.08732 5.31762 5.30747 numMergedOcc 0
29 mol 90 unq 2 iso 1 dist 8.83296 9.86843 8.66327 9.08732 5.30747 5.31762 numMergedOcc 0
30 mol 90 unq 2 iso 0 dist 6.86146 8.83296 8.87987 9.08732 5.06489 5.30747 numMergedOcc 0
31 mol 90 unq 2 iso 1 dist 8.83296 6.86146 8.87987 9.08732 5.30747 5.06489 numMergedOcc 0
32 mol 92 unq 0 iso 0 dist 8.03028 7.39754 7.72337 7.87729 13.3357 13.7136 numMergedOcc 0
33 mol 92 unq 0 iso 1 dist 7.39754 8.03028 7.72337 7.87729 13.7136 13.3357 numMergedOcc 0
34 mol 93 unq 0 iso 0 dist 5.51624 7.8674 12.9364 6.46217 10.1484 10.2139 numMergedOcc 0
35 mol 93 unq 0 iso 1 dist 7.8674 5.51624 12.9364 6.46217 10.2139 10.1484 numMergedOcc 0
36 mol 140 unq 0 iso 0 dist 6.98813 5.39314 10.1342 8.3735 12.005 4.77448 numMergedOcc 0
37 mol 140 unq 0 iso 1 dist 5.39314 6.98813 10.1342 8.3735 4.77448 12.005 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 8.60521 6.39031 7.2676 9.48674 13.909 6.69469 numMergedOcc 0
39 mol 152 unq 0 iso 1 dist 6.39031 8.60521 7.2676 9.48674 6.69469 13.909 numMergedOcc 0
40 mol 156 unq 0 iso 0 dist 5.90883 8.06913 4.10961 5.22104 6.69196 7.91467 numMergedOcc 0
41 mol 156 unq 0 iso 1 dist 8.06913 5.90883 4.10961 5.22104 7.91467 6.69196 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 7.32419 8.31961 5.84099 7.6741 6.41193 10.568 numMergedOcc 0
43 mol 175 unq 0 iso 1 dist 8.31961 7.32419 5.84099 7.6741 10.568 6.41193 numMergedOcc 0
44 mol 237 unq 0 iso 0 dist 7.63812 8.51129 6.92726 8.96803 13.4452 14.1628 numMergedOcc 0
45 mol 237 unq 0 iso 1 dist 8.51129 7.63812 6.92726 8.96803 14.1628 13.4452 numMergedOcc 0
46 mol 237 unq 1 iso 0 dist 7.63812 8.51129 6.92726 7.95072 8.49326 5.41814 numMergedOcc 0
47 mol 237 unq 1 iso 1 dist 8.51129 7.63812 6.92726 7.95072 5.41814 8.49326 numMergedOcc 0
48 mol 237 unq 2 iso 0 dist 7.31113 9.84466 4.98662 9.61703 5.15592 8.0982 numMergedOcc 0
49 mol 237 unq 2 iso 1 dist 9.84466 7.31113 4.98662 9.61703 8.0982 5.15592 numMergedOcc 0
