0 mol 29 unq 0 iso 0 dist 9.99467 5.97548 5.36278 10.2037 8.02814 7.71924 12.6435 5.97852 9.64034 13.6509 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 9.99467 5.97548 5.36278 10.2037 8.02814 7.71924 9.5115 11.1943 8.26334 4.98274 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 8.92491 8.04327 5.73235 9.06225 5.22567 7.02854 13.408 6.1999 6.14248 8.66335 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 7.41861 7.7047 5.73235 12.1652 5.22567 7.02854 6.63973 6.1999 6.14248 8.66335 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 5.16531 12.2874 9.52061 11.6486 7.12885 8.34427 14.5306 11.7456 8.57774 13.2297 numMergedOcc 0
5 mol 129 unq 1 iso 0 dist 6.65878 5.0466 7.6453 8.63018 5.06265 7.07421 8.09774 6.31483 8.85652 4.79473 numMergedOcc 0
6 mol 129 unq 2 iso 0 dist 6.65878 5.0466 7.6453 8.63018 5.06265 7.07421 11.4776 9.82512 9.31543 5.04019 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 8.72039 7.53392 9.39389 12.8674 10.8474 8.15549 12.2564 7.69707 8.62632 12.032 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 6.9268 14.0828 9.2759 16.9398 10.8516 5.12189 10.2321 4.85121 5.9959 6.95933 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 6.9268 14.0828 9.2759 6.85651 5.35551 7.50126 10.2321 4.85121 5.9959 5.30466 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 8.19166 11.5586 9.2759 15.5532 10.8516 5.12189 10.9863 4.85121 5.9959 6.95933 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 8.19166 11.5586 9.2759 7.03858 5.35551 7.50126 10.9863 4.85121 5.9959 5.30466 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 8.80952 11.2678 9.96635 11.946 10.9312 7.07348 12.5347 5.47558 9.53944 8.38939 numMergedOcc 0
13 mol 226 unq 0 iso 0 dist 9.03261 9.96567 8.74399 12.1792 12.3908 7.20862 12.6825 5.27153 8.31266 13.7904 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 9.51001 11.094 4.71683 16.9783 8.3795 9.13126 17.9225 10.7395 9.67162 4.8226 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 4.53228 6.54316 7.58554 8.68803 5.94643 9.59937 7.96523 7.26668 7.98794 3.80345 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 8.54078 6.2497 7.58554 13.3402 5.94643 9.59937 12.4753 7.26668 7.98794 3.80345 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 7.3055 6.1113 6.57444 10.0039 13.1376 9.63694 11.9041 10.6488 8.95841 6.96111 numMergedOcc 0
18 mol 266 unq 1 iso 0 dist 7.3055 6.1113 6.57444 10.8326 5.91091 6.58277 11.9041 10.6488 8.95841 11.8531 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 7.3388 5.66584 6.96774 12.4464 10.4601 8.0935 9.27722 3.85958 7.19568 7.23485 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 6.96248 5.66584 7.14859 12.4464 8.13485 8.0935 9.27722 5.93557 7.19568 7.23485 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 7.3388 5.66584 6.96774 12.4464 10.4601 8.0935 9.27722 3.85958 7.19568 7.23485 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 6.96248 5.66584 7.14859 12.4464 8.13485 8.0935 9.27722 5.93557 7.19568 7.23485 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 7.3388 5.66584 6.96774 12.4464 10.4601 8.0935 9.27722 3.85958 7.19568 7.23485 numMergedOcc 0
24 mol 289 unq 1 iso 0 dist 6.96248 5.66584 7.14859 12.4464 8.13485 8.0935 9.27722 5.93557 7.19568 7.23485 numMergedOcc 0
