0 mol 11 unq 0 iso 0 dist 8.12184 7.89746 8.7143 7.87306 5.51131 9.19218 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 6.68029 5.63384 7.40415 14.9281 12.67 9.72965 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 6.68029 5.63384 7.40415 5.21094 7.00226 5.63315 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 6.68029 5.63384 7.40415 11.3501 5.93722 9.8465 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 6.44166 12.2072 7.40415 18.668 12.67 9.72965 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 6.44166 12.2072 7.40415 11.9059 7.00226 5.63315 numMergedOcc 0
6 mol 28 unq 5 iso 0 dist 6.44166 12.2072 7.40415 11.6931 5.93722 9.8465 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 8.54821 7.4595 7.31784 13.8822 8.39589 7.51138 numMergedOcc 0
8 mol 90 unq 1 iso 0 dist 8.54821 7.4595 7.31784 11.7791 6.30226 9.86843 numMergedOcc 0
9 mol 90 unq 2 iso 0 dist 8.54821 7.4595 7.31784 8.98302 7.57639 6.86146 numMergedOcc 0
10 mol 90 unq 3 iso 0 dist 8.54821 7.4595 7.31784 6.03963 4.215 8.83296 numMergedOcc 0
11 mol 105 unq 0 iso 0 dist 8.60172 8.60231 7.09806 12.3526 4.22355 8.44437 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 9.10479 8.3604 7.91683 16.2075 13.3975 8.03035 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 9.10479 8.3604 7.91683 12.4119 8.00229 7.6968 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 8.74658 13.4383 8.50562 18.6335 10.9757 7.76594 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 9.14007 5.74529 6.94988 12.293 4.98952 8.26172 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 5.80081 6.27844 9.78667 8.00033 9.21506 8.93453 numMergedOcc 0
17 mol 141 unq 2 iso 0 dist 9.45931 12.0446 6.73983 10.2457 4.38393 8.93453 numMergedOcc 0
18 mol 141 unq 3 iso 0 dist 6.49728 6.27844 6.73983 8.00033 4.38393 8.93453 numMergedOcc 0
19 mol 141 unq 4 iso 0 dist 6.35397 12.0446 7.64956 10.2457 6.06881 8.93453 numMergedOcc 0
20 mol 156 unq 0 iso 0 dist 6.97467 7.94812 7.46845 11.4653 11.3995 5.90883 numMergedOcc 0
21 mol 156 unq 1 iso 0 dist 6.97467 7.94812 7.46845 13.753 11.6326 8.06913 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.38735 5.26093 4.5271 10.7352 6.16503 8.12349 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 8.89293 5.26093 7.02575 10.7352 9.6472 8.12349 numMergedOcc 0
24 mol 237 unq 0 iso 0 dist 6.78301 12.2119 6.07878 17.6595 11.0622 7.63812 numMergedOcc 0
25 mol 237 unq 1 iso 0 dist 6.78301 12.2119 6.07878 16.5795 10.1757 8.51129 numMergedOcc 0
