0 mol 54 unq 0 iso 0 dist 6.77145 4.87397 4.83453 8.47261 6.43516 7.7205 numMergedOcc 0
1 mol 54 unq 0 iso 1 dist 4.87397 6.77145 4.83453 8.47261 7.7205 6.43516 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 5.16558 9.62459 5.32316 7.98453 4.31746 7.58981 numMergedOcc 0
3 mol 67 unq 0 iso 1 dist 9.62459 5.16558 5.32316 7.98453 7.58981 4.31746 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.84466 9.2948 16.5604 6.70158 12.9548 13.6308 numMergedOcc 0
5 mol 93 unq 0 iso 1 dist 9.2948 8.84466 16.5604 6.70158 13.6308 12.9548 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 8.84466 9.2948 16.5604 7.29701 15.595 4.38413 numMergedOcc 0
7 mol 93 unq 1 iso 1 dist 9.2948 8.84466 16.5604 7.29701 4.38413 15.595 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 7.99121 6.30982 5.11161 9.19273 12.7351 9.25102 numMergedOcc 0
9 mol 115 unq 0 iso 1 dist 6.30982 7.99121 5.11161 9.19273 9.25102 12.7351 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 7.99121 6.12404 10.7282 9.19273 12.7351 4.08294 numMergedOcc 0
11 mol 115 unq 1 iso 1 dist 6.12404 7.99121 10.7282 9.19273 4.08294 12.7351 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 6.30982 6.12404 6.56935 9.19273 9.25102 4.08294 numMergedOcc 0
13 mol 115 unq 1 iso 1 dist 6.12404 6.30982 6.56935 9.19273 4.08294 9.25102 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 5.59311 9.22456 5.01776 9.68996 6.00816 8.76048 numMergedOcc 0
15 mol 133 unq 0 iso 1 dist 9.22456 5.59311 5.01776 9.68996 8.76048 6.00816 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 5.59311 5.7232 10.5425 9.68996 6.00816 14.6925 numMergedOcc 0
17 mol 133 unq 1 iso 1 dist 5.7232 5.59311 10.5425 9.68996 14.6925 6.00816 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 9.22456 5.7232 12.3753 9.68996 8.76048 14.6925 numMergedOcc 0
19 mol 133 unq 1 iso 1 dist 5.7232 9.22456 12.3753 9.68996 14.6925 8.76048 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 8.94464 8.63713 11.4167 5.87853 10.0344 3.90972 numMergedOcc 0
21 mol 181 unq 0 iso 1 dist 8.63713 8.94464 11.4167 5.87853 3.90972 10.0344 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 5.08796 5.93515 6.7732 9.0234 6.78739 11.3693 numMergedOcc 0
23 mol 181 unq 1 iso 1 dist 5.93515 5.08796 6.7732 9.0234 11.3693 6.78739 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 9.58385 6.83539 5.17942 8.84033 9.81016 10.6456 numMergedOcc 0
25 mol 225 unq 0 iso 1 dist 6.83539 9.58385 5.17942 8.84033 10.6456 9.81016 numMergedOcc 0
26 mol 225 unq 1 iso 0 dist 9.58385 6.22747 5.22094 8.84033 9.81016 7.43844 numMergedOcc 0
27 mol 225 unq 1 iso 1 dist 6.22747 9.58385 5.22094 8.84033 7.43844 9.81016 numMergedOcc 0
28 mol 225 unq 2 iso 0 dist 9.58385 9.21404 13.3753 8.84033 9.81016 4.32093 numMergedOcc 0
29 mol 225 unq 2 iso 1 dist 9.21404 9.58385 13.3753 8.84033 4.32093 9.81016 numMergedOcc 0
30 mol 225 unq 1 iso 0 dist 6.83539 6.22747 3.3846 8.84033 10.6456 7.43844 numMergedOcc 0
31 mol 225 unq 1 iso 1 dist 6.22747 6.83539 3.3846 8.84033 7.43844 10.6456 numMergedOcc 0
32 mol 225 unq 2 iso 0 dist 6.83539 9.21404 13.3606 8.84033 10.6456 4.32093 numMergedOcc 0
33 mol 225 unq 2 iso 1 dist 9.21404 6.83539 13.3606 8.84033 4.32093 10.6456 numMergedOcc 0
34 mol 225 unq 2 iso 0 dist 6.22747 9.21404 10.4457 8.84033 7.43844 4.32093 numMergedOcc 0
35 mol 225 unq 2 iso 1 dist 9.21404 6.22747 10.4457 8.84033 4.32093 7.43844 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 4.43243 5.92025 5.26871 7.87572 9.5878 5.55311 numMergedOcc 0
37 mol 236 unq 0 iso 1 dist 5.92025 4.43243 5.26871 7.87572 5.55311 9.5878 numMergedOcc 0
38 mol 236 unq 1 iso 0 dist 4.43243 9.04819 11.4554 7.87572 9.5878 4.28296 numMergedOcc 0
39 mol 236 unq 1 iso 1 dist 9.04819 4.43243 11.4554 7.87572 4.28296 9.5878 numMergedOcc 0
40 mol 236 unq 1 iso 0 dist 5.92025 9.04819 8.96137 7.87572 5.55311 4.28296 numMergedOcc 0
41 mol 236 unq 1 iso 1 dist 9.04819 5.92025 8.96137 7.87572 4.28296 5.55311 numMergedOcc 0
42 mol 287 unq 0 iso 0 dist 8.19213 5.80664 8.46742 8.58448 8.99712 4.3442 numMergedOcc 0
43 mol 287 unq 0 iso 1 dist 5.80664 8.19213 8.46742 8.58448 4.3442 8.99712 numMergedOcc 0
44 mol 288 unq 0 iso 0 dist 8.19213 5.80664 8.46742 8.58448 8.99712 4.3442 numMergedOcc 0
45 mol 288 unq 0 iso 1 dist 5.80664 8.19213 8.46742 8.58448 4.3442 8.99712 numMergedOcc 0
46 mol 289 unq 0 iso 0 dist 8.19213 5.80664 8.46742 8.58448 8.99712 4.3442 numMergedOcc 0
47 mol 289 unq 0 iso 1 dist 5.80664 8.19213 8.46742 8.58448 4.3442 8.99712 numMergedOcc 0
