0 mol 9 unq 0 iso 0 dist 8.77074 11.5622 8.29595 17.4675 9.27637 11.8626 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 9.23241 6.76039 8.83047 13.8028 7.09169 14.3035 numMergedOcc 0
2 mol 53 unq 1 iso 0 dist 9.23241 14.2926 6.95013 13.8028 7.09169 5.02495 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.53468 9.70734 8.91206 14.2026 8.03303 12.3394 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.53468 5.41551 8.67513 14.2026 8.03303 14.4506 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 5.90954 9.93198 8.91206 9.27925 8.03303 12.3394 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 5.90954 5.54987 8.67513 9.27925 8.03303 14.4506 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.98999 14.3349 7.35503 6.68714 7.23962 10.0299 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 7.98999 14.3349 7.35503 10.8795 9.00067 9.13496 numMergedOcc 0
9 mol 112 unq 2 iso 0 dist 7.98999 14.3349 7.35503 13.2606 9.89499 10.1793 numMergedOcc 0
10 mol 112 unq 3 iso 0 dist 7.98999 14.3349 7.35503 6.71889 7.30204 11.5698 numMergedOcc 0
11 mol 112 unq 4 iso 0 dist 7.98999 15.4161 8.79543 6.68714 7.23962 11.7503 numMergedOcc 0
12 mol 112 unq 5 iso 0 dist 7.98999 15.4161 8.79543 10.8795 9.00067 8.0952 numMergedOcc 0
13 mol 112 unq 6 iso 0 dist 7.98999 15.4161 8.79543 13.2606 9.89499 7.12714 numMergedOcc 0
14 mol 112 unq 7 iso 0 dist 7.98999 15.4161 8.79543 6.71889 7.30204 10.886 numMergedOcc 0
15 mol 112 unq 8 iso 0 dist 7.98999 9.87475 6.48223 6.68714 7.23962 10.626 numMergedOcc 0
16 mol 112 unq 9 iso 0 dist 7.98999 9.87475 6.48223 10.8795 9.00067 8.19562 numMergedOcc 0
17 mol 112 unq 10 iso 0 dist 7.98999 9.87475 6.48223 13.2606 9.89499 5.71097 numMergedOcc 0
18 mol 112 unq 11 iso 0 dist 7.98999 9.87475 6.48223 6.71889 7.30204 5.27363 numMergedOcc 0
19 mol 130 unq 0 iso 0 dist 7.62584 5.11455 4.85559 11.4663 8.33077 7.09664 numMergedOcc 0
20 mol 130 unq 1 iso 0 dist 7.62584 10.0429 6.87562 11.4663 8.33077 9.03539 numMergedOcc 0
21 mol 130 unq 2 iso 0 dist 7.39532 7.43279 4.85559 3.96103 8.33077 7.09664 numMergedOcc 0
22 mol 130 unq 3 iso 0 dist 7.39532 10.9627 6.87562 3.96103 8.33077 9.03539 numMergedOcc 0
23 mol 158 unq 0 iso 0 dist 6.92225 5.52015 7.24115 9.86605 7.88319 13.5328 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 7.47107 14.7761 8.63008 10.2633 6.26839 13.445 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 7.47107 14.7761 8.63008 9.36943 8.12346 15.3582 numMergedOcc 0
26 mol 194 unq 2 iso 0 dist 7.47107 14.7761 8.63008 7.72655 8.83356 10.977 numMergedOcc 0
27 mol 194 unq 3 iso 0 dist 7.47107 14.7761 8.63008 4.57265 8.2654 16.6746 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 8.12518 5.22879 9.33735 12.3465 8.38865 15.9389 numMergedOcc 0
29 mol 227 unq 1 iso 0 dist 8.12518 5.22879 9.33735 7.2593 5.4694 10.8811 numMergedOcc 0
30 mol 237 unq 0 iso 0 dist 9.74081 13.9685 7.68769 4.37008 7.42587 9.81634 numMergedOcc 0
31 mol 251 unq 0 iso 0 dist 8.38382 6.58237 5.0953 8.64172 8.01198 5.6933 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 8.36282 14.2164 7.11691 9.49608 9.64269 11.9042 numMergedOcc 0
33 mol 272 unq 1 iso 0 dist 8.36282 14.2164 7.11691 5.87695 6.88809 9.87214 numMergedOcc 0
34 mol 272 unq 2 iso 0 dist 8.36282 14.2164 7.11691 12.8166 8.46061 5.27123 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 9.89698 16.839 9.4626 16.8679 7.52109 7.23876 numMergedOcc 0
36 mol 279 unq 0 iso 0 dist 5.63154 13.1905 8.84798 5.15837 8.29305 13.8061 numMergedOcc 0
37 mol 279 unq 1 iso 0 dist 5.63154 13.1905 8.84798 8.33297 6.43341 7.7504 numMergedOcc 0
38 mol 285 unq 0 iso 0 dist 6.89391 9.97666 7.06878 4.16039 5.31728 5.93692 numMergedOcc 0
39 mol 294 unq 0 iso 0 dist 9.2542 9.02274 9.21767 11.198 7.91611 9.04205 numMergedOcc 0
40 mol 294 unq 1 iso 0 dist 9.2542 5.83603 6.16375 11.198 7.91611 6.99988 numMergedOcc 0
