0 mol 44 unq 0 iso 0 dist 7.31362 7.16036 5.68567 9.5746 14.2438 9.6782 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.46263 7.51978 9.65953 13.9555 13.4907 7.21717 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 8.56547 7.47827 7.45926 3.98211 7.42828 9.30539 numMergedOcc 0
3 mol 91 unq 1 iso 0 dist 8.56547 7.47827 7.45926 6.76611 9.20432 9.01176 numMergedOcc 0
4 mol 91 unq 2 iso 0 dist 5.23177 7.47827 5.55005 3.98211 5.98441 9.30539 numMergedOcc 0
5 mol 91 unq 3 iso 0 dist 5.23177 7.47827 5.55005 6.76611 5.61819 9.01176 numMergedOcc 0
6 mol 91 unq 4 iso 0 dist 6.77052 7.47827 9.57561 3.98211 5.45873 9.30539 numMergedOcc 0
7 mol 91 unq 5 iso 0 dist 6.77052 7.47827 9.57561 6.76611 6.97995 9.01176 numMergedOcc 0
8 mol 91 unq 6 iso 0 dist 9.23907 7.28711 5.27581 9.98867 4.86532 5.73743 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 7.3098 5.09688 5.06206 6.29383 11.7467 7.38135 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 9.90038 9.26343 5.06206 10.728 11.7467 7.38135 numMergedOcc 0
11 mol 125 unq 0 iso 0 dist 9.06392 8.38646 16.5045 6.24872 10.4714 7.73435 numMergedOcc 0
12 mol 125 unq 1 iso 0 dist 9.06392 8.38646 16.5045 10.4668 13.2906 9.3778 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 7.65424 9.75558 10.28 9.62363 15.8362 9.97343 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 6.71654 9.75558 6.23566 9.62363 11.5392 9.97343 numMergedOcc 0
15 mol 176 unq 0 iso 0 dist 9.67515 4.96326 9.5735 5.19351 14.5353 7.33273 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 8.86262 6.31492 4.61382 7.00671 11.0223 6.73956 numMergedOcc 0
17 mol 182 unq 1 iso 0 dist 8.86262 6.31492 4.61382 11.1247 11.0536 7.09394 numMergedOcc 0
18 mol 182 unq 2 iso 0 dist 7.23874 6.31492 8.09718 7.00671 13.087 6.73956 numMergedOcc 0
19 mol 182 unq 3 iso 0 dist 7.23874 6.31492 8.09718 11.1247 14.8739 7.09394 numMergedOcc 0
20 mol 182 unq 4 iso 0 dist 6.06892 7.8621 11.8631 9.23913 14.6335 6.73956 numMergedOcc 0
21 mol 182 unq 5 iso 0 dist 6.06892 7.8621 11.8631 5.77163 9.38111 7.09394 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 9.44978 9.05666 4.94984 5.76622 11.3948 8.77999 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 6.43416 5.52981 6.75711 5.3192 8.88206 6.1951 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 7.24101 7.2527 10.2134 10.0472 6.62283 7.57812 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 7.24101 7.2527 10.2134 10.0651 8.60978 8.69104 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 7.24101 7.13194 5.88384 10.0472 6.62283 9.24557 numMergedOcc 0
27 mol 249 unq 0 iso 0 dist 8.84212 6.42827 12.6924 5.74889 12.7606 5.48118 numMergedOcc 0
28 mol 249 unq 1 iso 0 dist 7.10933 6.42827 8.71871 5.74889 6.7282 5.48118 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 9.8256 7.22378 6.62225 4.39424 11.4473 7.21311 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 7.26294 7.28096 11.2095 12.4113 16.7719 6.89451 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 7.26294 7.28096 11.2095 12.4113 16.7719 6.89451 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 7.26294 7.28096 11.2095 12.4113 16.7719 6.89451 numMergedOcc 0
