0 mol 25 unq 0 iso 0 dist 7.88087 8.26412 11.2116 8.64255 12.1471 7.6114 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 7.98333 6.12374 6.66655 6.12182 12.6659 7.26639 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.89262 6.86485 5.42468 7.71984 12.9181 9.22598 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 6.89262 6.86485 5.42468 4.67517 10.671 8.96727 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 6.89262 8.37546 8.24108 4.67517 10.671 8.01308 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 7.93406 6.86485 5.04521 7.71984 7.84983 9.22598 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 7.93406 6.86485 5.04521 4.67517 9.56737 8.96727 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 7.93406 8.37546 10.2341 4.67517 9.56737 8.01308 numMergedOcc 0
8 mol 58 unq 6 iso 0 dist 6.50646 9.76234 5.42468 12.5529 12.9181 9.22598 numMergedOcc 0
9 mol 58 unq 7 iso 0 dist 6.50646 9.76234 5.42468 8.47822 10.671 8.96727 numMergedOcc 0
10 mol 89 unq 0 iso 0 dist 8.45308 9.55954 8.81506 6.529 10.458 6.53308 numMergedOcc 0
11 mol 89 unq 1 iso 0 dist 8.45308 7.06277 3.30729 4.4691 9.58625 8.40422 numMergedOcc 0
12 mol 89 unq 2 iso 0 dist 8.45308 7.06277 3.30729 5.38419 11.0871 8.40425 numMergedOcc 0
13 mol 89 unq 3 iso 0 dist 8.45308 7.06277 3.30729 6.529 10.458 7.47974 numMergedOcc 0
14 mol 89 unq 4 iso 0 dist 8.45308 7.06277 3.30729 8.3977 6.36021 5.51831 numMergedOcc 0
15 mol 89 unq 5 iso 0 dist 8.45308 7.06277 3.30729 9.83986 11.4742 9.65149 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 7.78459 9.77082 6.67286 15.821 15.7605 9.3948 numMergedOcc 0
17 mol 117 unq 0 iso 0 dist 5.38954 5.20001 6.66127 5.17524 7.70533 6.10127 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 7.7267 8.62413 13.722 5.57978 11.8905 5.51197 numMergedOcc 0
19 mol 129 unq 1 iso 0 dist 7.7267 6.93102 4.9473 5.57978 11.8905 8.86944 numMergedOcc 0
20 mol 129 unq 2 iso 0 dist 7.7267 8.4375 10.2104 5.57978 11.8905 6.69691 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 9.18505 7.33743 15.6978 6.80087 10.4418 8.77023 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 9.4525 8.15661 13.472 5.74363 13.69 9.35274 numMergedOcc 0
23 mol 220 unq 1 iso 0 dist 8.98518 8.15661 7.68648 5.74363 11.1838 9.35274 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 7.82276 6.66615 8.41904 5.2836 11.8372 5.90924 numMergedOcc 0
25 mol 264 unq 1 iso 0 dist 7.82276 6.66615 8.41904 4.53426 7.22789 5.90058 numMergedOcc 0
26 mol 264 unq 2 iso 0 dist 7.82276 6.66615 8.41904 13.628 17.6506 9.58916 numMergedOcc 0
