0 mol 68 unq 0 iso 0 dist 5.9651 5.94459 8.53692 7.51631 10.9724 13.0221 numMergedOcc 0
1 mol 70 unq 0 iso 0 dist 8.30653 9.33262 14.4239 9.87737 5.78087 16.6291 numMergedOcc 0
2 mol 70 unq 1 iso 0 dist 8.30653 9.33262 14.4239 6.7303 6.10128 13.2887 numMergedOcc 0
3 mol 70 unq 2 iso 0 dist 6.91739 9.33262 10.4473 9.87737 6.64078 16.6291 numMergedOcc 0
4 mol 70 unq 3 iso 0 dist 6.91739 9.33262 10.4473 6.7303 3.80229 13.2887 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 9.86416 9.93908 4.64184 7.88265 10.2694 6.97032 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.96446 7.05954 5.69731 4.96173 11.3522 8.75014 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 6.70686 7.05954 4.14907 4.96173 10.0591 8.75014 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 6.34542 6.90574 6.39411 9.83758 6.34994 4.26808 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 8.86938 5.9819 8.56707 6.79584 4.69658 4.25001 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 7.42474 5.9819 12.6695 6.79584 13.1881 4.25001 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 7.2443 9.05365 9.88829 6.36631 6.54263 13.4717 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 7.2443 9.05365 9.88829 6.24308 3.92558 12.1644 numMergedOcc 0
13 mol 113 unq 2 iso 0 dist 7.2443 9.05365 9.88829 6.66182 7.07985 3.86677 numMergedOcc 0
14 mol 124 unq 0 iso 0 dist 6.71293 5.93793 9.70339 6.67979 9.79481 5.46636 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 8.3127 7.03633 4.81686 9.00141 10.803 13.0042 numMergedOcc 0
16 mol 128 unq 1 iso 0 dist 8.3127 7.03633 4.81686 4.26814 4.48309 4.21194 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 9.66837 5.32135 5.05506 7.37255 7.72421 6.02991 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.52413 6.59729 10.3944 8.86574 4.04122 9.42515 numMergedOcc 0
19 mol 189 unq 0 iso 0 dist 8.59972 9.5853 5.4905 8.49359 4.28607 8.73039 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 9.90891 7.47477 12.7863 7.54599 9.76121 7.13626 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 9.43611 9.11795 6.00534 6.26596 4.15355 5.92503 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 8.14464 6.06105 9.4364 8.81424 9.76678 8.38864 numMergedOcc 0
23 mol 225 unq 1 iso 0 dist 8.14464 6.06105 9.4364 9.60949 5.41981 11.1621 numMergedOcc 0
24 mol 225 unq 2 iso 0 dist 9.93754 6.06105 10.6484 8.81424 9.72811 8.38864 numMergedOcc 0
25 mol 225 unq 3 iso 0 dist 9.93754 6.06105 10.6484 9.60949 19.3511 11.1621 numMergedOcc 0
26 mol 230 unq 0 iso 0 dist 6.03738 6.47064 10.753 8.32382 4.65404 12.1428 numMergedOcc 0
27 mol 248 unq 0 iso 0 dist 7.40475 9.08064 5.99459 5.76741 6.19721 4.91893 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 9.80409 5.67349 6.04016 8.55479 11.4108 11.1232 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 9.07206 9.91954 12.6928 6.26593 13.3122 8.89888 numMergedOcc 0
30 mol 281 unq 0 iso 0 dist 9.27716 6.42743 13.9013 7.8046 12.8596 11.7851 numMergedOcc 0
31 mol 294 unq 0 iso 0 dist 7.77765 5.78275 12.0308 7.0445 14.5847 4.65086 numMergedOcc 0
