0 mol 26 unq 0 iso 0 dist 5.71245 5.04687 7.04707 11.2171 9.32718 11.7206 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.7961 7.4373 8.60396 7.09975 9.38335 10.6703 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.7961 5.81652 7.48969 7.09975 9.38335 4.14061 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 9.34288 7.06696 7.17678 10.0703 8.91502 6.26461 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 9.60916 11.8632 7.62621 6.22691 5.51406 5.75219 numMergedOcc 0
5 mol 91 unq 1 iso 0 dist 9.44798 14.205 7.62621 10.7783 5.51406 5.75219 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 4.45006 5.25364 8.52947 11.3276 7.4518 14.4934 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 4.45006 5.25364 8.52947 7.81661 9.1687 11.7807 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 4.45006 7.1496 8.84466 11.3276 7.4518 16.0131 numMergedOcc 0
9 mol 93 unq 3 iso 0 dist 4.45006 7.1496 8.84466 7.81661 9.1687 11.7408 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 7.11556 7.16986 9.79412 10.516 9.16592 9.68856 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 7.92498 6.31058 8.28452 5.60987 5.37302 5.58964 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 7.92498 11.6347 8.44004 5.60987 5.37302 12.297 numMergedOcc 0
13 mol 128 unq 0 iso 0 dist 8.88867 13.7855 9.35162 5.8344 9.49761 10.2009 numMergedOcc 0
14 mol 128 unq 1 iso 0 dist 8.88867 13.7855 9.35162 10.172 6.03154 7.34304 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 8.58936 5.04868 7.03774 7.01473 8.58172 4.20676 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 8.58936 5.04868 7.03774 5.11324 8.94585 6.9174 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 6.74947 6.24568 8.0302 10.7523 8.01453 6.13227 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 6.74947 7.74601 6.65051 10.7523 8.01453 5.50161 numMergedOcc 0
19 mol 141 unq 2 iso 0 dist 6.74947 10.8712 9.41519 10.7523 8.01453 9.59112 numMergedOcc 0
20 mol 169 unq 0 iso 0 dist 8.11268 6.33958 8.56204 5.50901 5.51388 5.82243 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 8.99187 10.3947 5.76223 6.65048 6.68863 4.34945 numMergedOcc 0
