0 mol 29 unq 0 iso 0 dist 8.53135 7.27473 7.28761 14.3861 7.29489 9.02912 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.96522 10.3846 8.76844 8.7388 11.6507 6.32568 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.08507 10.1704 8.61566 15.0753 10.0915 8.96327 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 6.9055 8.83867 6.95637 9.87911 5.73842 6.39879 numMergedOcc 0
4 mol 81 unq 1 iso 0 dist 9.24998 4.69212 6.94359 11.2291 4.85301 8.5843 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 4.56886 4.95238 5.1524 10.9017 8.25083 9.68242 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 8.5614 12.9884 8.14817 7.66512 4.1584 7.90709 numMergedOcc 0
7 mol 141 unq 1 iso 0 dist 8.5614 12.9884 8.14817 7.38183 9.5453 9.03842 numMergedOcc 0
8 mol 192 unq 0 iso 0 dist 5.83093 8.82579 5.90008 14.746 9.72372 9.8155 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 8.50367 7.54885 6.93215 11.4809 4.36112 8.37183 numMergedOcc 0
10 mol 210 unq 1 iso 0 dist 8.50367 7.54885 6.93215 12.4147 10.4519 6.6588 numMergedOcc 0
11 mol 210 unq 2 iso 0 dist 8.94889 10.4785 6.93215 8.78652 4.36112 8.37183 numMergedOcc 0
12 mol 210 unq 3 iso 0 dist 8.94889 10.4785 6.93215 10.9072 10.4519 6.6588 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 5.17916 8.66522 8.60727 12.7485 10.3765 5.77928 numMergedOcc 0
14 mol 240 unq 0 iso 0 dist 6.50985 6.01197 8.46413 13.7816 16.4798 9.72504 numMergedOcc 0
15 mol 242 unq 0 iso 0 dist 9.035 4.80103 5.97464 11.1963 5.53523 6.49784 numMergedOcc 0
16 mol 242 unq 1 iso 0 dist 9.035 7.90197 9.01402 11.1963 5.53523 9.80472 numMergedOcc 0
17 mol 254 unq 0 iso 0 dist 5.73448 12.4202 9.56058 13.2437 9.6988 9.43169 numMergedOcc 0
18 mol 261 unq 0 iso 0 dist 8.96253 5.02504 9.05171 12.9438 13.095 9.57431 numMergedOcc 0
19 mol 261 unq 1 iso 0 dist 8.96253 4.34203 5.46946 13.3611 4.89738 9.53126 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 6.93798 8.33215 4.1631 13.8503 7.25274 7.36223 numMergedOcc 0
