0 mol 36 unq 0 iso 0 dist 9.79311 14.5425 8.9566 11.5315 8.61422 6.03866 numMergedOcc 0
1 mol 36 unq 1 iso 0 dist 8.38972 6.33881 9.98689 4.09734 8.9353 8.02028 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 8.89056 6.72854 4.70371 7.66488 8.77395 8.20593 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 8.89056 6.72854 4.70371 10.0432 6.91288 6.20434 numMergedOcc 0
4 mol 55 unq 2 iso 0 dist 8.89056 6.72854 4.70371 7.21465 8.60087 9.61184 numMergedOcc 0
5 mol 55 unq 3 iso 0 dist 8.89056 11.6194 8.74565 7.66488 8.77395 13.1058 numMergedOcc 0
6 mol 55 unq 4 iso 0 dist 8.89056 11.6194 8.74565 10.0432 6.91288 14.3366 numMergedOcc 0
7 mol 55 unq 5 iso 0 dist 8.89056 11.6194 8.74565 7.21465 8.60087 9.31655 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 7.69318 11.7574 7.30392 5.4275 6.42645 13.0684 numMergedOcc 0
9 mol 96 unq 0 iso 0 dist 8.09839 7.67811 5.5851 8.19193 8.9912 4.63351 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.5608 13.1847 8.54701 8.6912 8.29395 5.43417 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 9.14589 9.936 8.54701 5.74293 8.29395 5.43417 numMergedOcc 0
12 mol 136 unq 0 iso 0 dist 9.44126 5.72482 9.67457 8.28142 7.75661 6.80938 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 7.38495 6.54826 9.58783 15.1851 8.1953 16.4635 numMergedOcc 0
14 mol 168 unq 1 iso 0 dist 7.38495 6.54826 9.58783 14.4685 8.16253 17.6725 numMergedOcc 0
15 mol 168 unq 2 iso 0 dist 5.45739 10.9142 9.88342 4.18108 6.24232 9.69599 numMergedOcc 0
16 mol 168 unq 3 iso 0 dist 5.45739 10.9142 9.88342 3.6038 6.13116 7.91845 numMergedOcc 0
17 mol 168 unq 4 iso 0 dist 6.75751 16.0045 9.58783 4.18108 8.1953 16.4635 numMergedOcc 0
18 mol 168 unq 5 iso 0 dist 6.75751 16.0045 9.58783 3.6038 8.16253 17.6725 numMergedOcc 0
19 mol 168 unq 6 iso 0 dist 6.9335 12.2689 9.88342 8.29185 6.24232 9.69599 numMergedOcc 0
20 mol 168 unq 7 iso 0 dist 6.9335 12.2689 9.88342 4.88037 6.13116 7.91845 numMergedOcc 0
21 mol 168 unq 8 iso 0 dist 8.35883 17.5664 9.58783 8.29185 8.1953 16.4635 numMergedOcc 0
22 mol 168 unq 9 iso 0 dist 8.35883 17.5664 9.58783 4.88037 8.16253 17.6725 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 8.74902 10.1558 5.99974 6.03402 7.20524 5.27339 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 6.9134 7.33309 5.99974 8.95069 7.20524 5.27339 numMergedOcc 0
25 mol 192 unq 2 iso 0 dist 8.64985 5.1382 9.67207 4.95833 8.42665 9.82858 numMergedOcc 0
26 mol 192 unq 3 iso 0 dist 9.54594 14.5274 9.67207 5.19436 8.42665 9.82858 numMergedOcc 0
27 mol 254 unq 0 iso 0 dist 5.33321 6.97174 9.73281 5.39519 8.4346 11.7618 numMergedOcc 0
28 mol 254 unq 1 iso 0 dist 5.33321 6.97174 9.73281 5.04198 7.97728 11.7378 numMergedOcc 0
29 mol 276 unq 0 iso 0 dist 5.39708 5.58105 8.0652 13.1666 9.97709 16.9357 numMergedOcc 0
30 mol 284 unq 0 iso 0 dist 6.36106 10.1082 5.62295 4.16786 4.69611 8.4652 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 9.86256 7.00428 4.66252 14.9936 8.08382 12.1302 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 9.86256 7.00428 4.66252 14.9936 8.08382 12.1302 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 9.86256 7.00428 4.66252 14.9936 8.08382 12.1302 numMergedOcc 0
