0 mol 5 unq 0 iso 0 dist 7.64048 6.46284 9.53396 7.62938 5.8674 5.31713 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 5.16057 9.00899 10.5092 5.03451 4.10012 10.3665 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 5.16057 7.826 5.67014 5.03451 4.10012 3.17053 numMergedOcc 0
3 mol 27 unq 0 iso 0 dist 7.66321 7.41235 5.72091 9.75252 3.28393 4.77763 numMergedOcc 0
4 mol 27 unq 1 iso 0 dist 7.66321 7.41235 5.72091 5.27118 4.55648 3.21417 numMergedOcc 0
5 mol 27 unq 2 iso 0 dist 7.66321 9.00377 6.49805 9.75252 3.28393 7.38657 numMergedOcc 0
6 mol 27 unq 3 iso 0 dist 7.66321 9.00377 6.49805 5.27118 4.55648 4.96577 numMergedOcc 0
7 mol 36 unq 0 iso 0 dist 7.38433 6.02824 3.35055 5.58536 7.34881 7.69482 numMergedOcc 0
8 mol 36 unq 1 iso 0 dist 9.0321 6.1084 12.2373 6.6055 5.06004 10.5994 numMergedOcc 0
9 mol 36 unq 2 iso 0 dist 8.88147 6.1084 3.35055 6.6055 13.8997 10.5994 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 7.91401 6.22498 10.3344 7.07055 9.02536 3.78604 numMergedOcc 0
11 mol 69 unq 1 iso 0 dist 8.68643 6.22498 10.7264 7.07055 7.84746 3.78604 numMergedOcc 0
12 mol 123 unq 0 iso 0 dist 9.43033 8.18122 7.20593 9.85144 9.94939 3.3389 numMergedOcc 0
13 mol 123 unq 1 iso 0 dist 8.57379 8.36221 6.48535 8.09329 6.33721 11.5607 numMergedOcc 0
14 mol 123 unq 2 iso 0 dist 8.57379 8.36221 6.48535 5.80266 5.79985 3.3389 numMergedOcc 0
15 mol 123 unq 3 iso 0 dist 5.87154 8.6441 11.3179 5.18305 3.00129 8.42496 numMergedOcc 0
16 mol 123 unq 4 iso 0 dist 5.87154 8.6441 11.3179 6.13025 7.41056 11.5607 numMergedOcc 0
17 mol 123 unq 5 iso 0 dist 5.87154 8.6441 11.3179 6.78431 10.7803 3.3389 numMergedOcc 0
18 mol 123 unq 6 iso 0 dist 6.82663 8.6441 6.48535 5.18305 5.2546 8.42496 numMergedOcc 0
19 mol 123 unq 7 iso 0 dist 6.82663 8.6441 6.48535 6.13025 6.33721 11.5607 numMergedOcc 0
20 mol 123 unq 8 iso 0 dist 6.82663 8.6441 6.48535 6.78431 5.79985 3.3389 numMergedOcc 0
21 mol 123 unq 9 iso 0 dist 9.93167 6.70684 7.20593 6.60464 9.94939 3.3389 numMergedOcc 0
22 mol 148 unq 0 iso 0 dist 9.62458 9.8506 16.1985 7.91749 14.6641 13.5156 numMergedOcc 0
23 mol 150 unq 0 iso 0 dist 9.64273 9.91991 16.2155 7.96309 14.7716 13.6094 numMergedOcc 0
24 mol 167 unq 0 iso 0 dist 9.08844 5.57495 6.09401 8.87575 12.6838 9.5716 numMergedOcc 0
25 mol 167 unq 1 iso 0 dist 9.08844 9.38297 5.75062 8.87575 12.6838 15.8939 numMergedOcc 0
26 mol 184 unq 0 iso 0 dist 7.90504 9.53656 12.0265 9.35481 4.06997 14.4056 numMergedOcc 0
27 mol 184 unq 1 iso 0 dist 7.90504 9.53656 12.0265 9.11936 12.8813 15.3702 numMergedOcc 0
28 mol 184 unq 2 iso 0 dist 7.90504 9.53656 12.0265 8.20517 14.4539 9.99712 numMergedOcc 0
29 mol 184 unq 3 iso 0 dist 7.90504 7.06562 7.33348 9.35481 4.06997 5.54499 numMergedOcc 0
30 mol 184 unq 4 iso 0 dist 7.90504 7.06562 7.33348 9.11936 12.8813 6.15375 numMergedOcc 0
31 mol 184 unq 5 iso 0 dist 7.90504 7.06562 7.33348 8.20517 14.4539 9.56022 numMergedOcc 0
32 mol 184 unq 6 iso 0 dist 7.33083 9.53656 14.56 9.35481 5.36969 14.4056 numMergedOcc 0
33 mol 184 unq 7 iso 0 dist 7.33083 9.53656 14.56 9.11936 5.946 15.3702 numMergedOcc 0
34 mol 184 unq 8 iso 0 dist 7.33083 9.53656 14.56 8.20517 11.1899 9.99712 numMergedOcc 0
35 mol 184 unq 9 iso 0 dist 7.33083 7.06562 3.29776 9.35481 5.36969 5.54499 numMergedOcc 0
36 mol 184 unq 10 iso 0 dist 7.33083 7.06562 3.29776 9.11936 5.946 6.15375 numMergedOcc 0
37 mol 184 unq 11 iso 0 dist 7.33083 7.06562 3.29776 8.20517 11.1899 9.56022 numMergedOcc 0
38 mol 184 unq 12 iso 0 dist 7.79858 8.32647 5.75787 6.03505 9.86813 11.1533 numMergedOcc 0
39 mol 184 unq 13 iso 0 dist 7.79858 8.32647 5.75787 6.30144 6.87402 3.74437 numMergedOcc 0
40 mol 184 unq 14 iso 0 dist 7.19946 8.32647 6.26387 6.03505 6.13585 11.1533 numMergedOcc 0
41 mol 184 unq 15 iso 0 dist 7.19946 8.32647 6.26387 6.30144 4.1284 3.74437 numMergedOcc 0
