0 mol 14 unq 0 iso 0 dist 9.54103 9.22226 9.81815 8.54362 3.61048 8.9616 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.84064 8.84341 16.4709 9.83585 12.3479 7.93342 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 7.66522 8.84341 13.9821 9.83585 15.5198 7.93342 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 6.85245 9.53735 5.60332 5.03531 3.6629 6.36636 numMergedOcc 0
4 mol 36 unq 0 iso 0 dist 7.23823 7.11464 5.39321 6.6055 6.28198 3.58776 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 6.86092 5.66861 6.52918 9.72637 6.20762 7.43661 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 9.1695 5.0478 11.6507 7.18148 4.04498 10.1455 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 9.0481 7.35929 4.46355 6.0662 4.65384 5.28622 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.75977 8.57012 4.92054 6.51132 4.56304 4.17255 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 7.75977 8.57012 4.92054 8.38986 5.04832 6.52866 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 7.75977 9.75945 6.7197 6.51132 4.56304 9.96839 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 7.75977 9.75945 6.7197 8.38986 5.04832 9.12887 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 7.75233 9.58371 11.5292 4.80508 3.86041 11.8112 numMergedOcc 0
13 mol 158 unq 1 iso 0 dist 7.75233 9.58371 11.5292 4.88625 5.05049 10.454 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 9.01437 9.63679 6.6467 6.24232 3.60864 7.27069 numMergedOcc 0
15 mol 168 unq 1 iso 0 dist 9.01437 9.63679 6.6467 6.13116 7.08284 4.51252 numMergedOcc 0
16 mol 237 unq 0 iso 0 dist 6.73849 6.78301 6.57707 5.27463 3.64783 4.50383 numMergedOcc 0
17 mol 237 unq 1 iso 0 dist 9.43875 6.78301 6.45163 5.27463 10.1524 4.50383 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 8.66923 8.03226 14.9927 9.59909 15.9903 3.63257 numMergedOcc 0
19 mol 247 unq 0 iso 0 dist 8.0367 6.76933 11.1195 5.27761 7.1185 8.67313 numMergedOcc 0
20 mol 254 unq 0 iso 0 dist 9.61808 9.00866 6.5652 8.4346 8.42716 4.4384 numMergedOcc 0
21 mol 254 unq 1 iso 0 dist 9.61808 9.00866 6.5652 7.97728 7.70437 6.09569 numMergedOcc 0
22 mol 272 unq 0 iso 0 dist 8.19595 5.9131 3.93924 8.3872 5.32967 6.85669 numMergedOcc 0
23 mol 276 unq 0 iso 0 dist 8.63212 8.74282 12.4238 9.97709 4.68076 13.3582 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 7.7368 5.62568 5.1517 6.23874 9.21351 5.9468 numMergedOcc 0
25 mol 287 unq 1 iso 0 dist 7.7368 5.62568 5.1517 6.68956 4.96187 3.63993 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 7.7368 5.62568 5.1517 6.23874 9.21351 5.9468 numMergedOcc 0
27 mol 288 unq 1 iso 0 dist 7.7368 5.62568 5.1517 6.68956 4.96187 3.63993 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 7.7368 5.62568 5.1517 6.23874 9.21351 5.9468 numMergedOcc 0
29 mol 289 unq 1 iso 0 dist 7.7368 5.62568 5.1517 6.68956 4.96187 3.63993 numMergedOcc 0
