0 mol 7 unq 0 iso 0 dist 9.18323 5.63855 6.7985 7.89457 6.14469 8.43473 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.18323 5.30199 9.68596 7.89457 6.14469 5.03847 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.78919 8.76059 6.02702 6.68546 6.14469 6.55304 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 5.78919 5.51296 8.72114 6.68546 6.14469 6.34041 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 6.6645 6.5996 6.09764 5.97621 4.74809 8.96335 numMergedOcc 0
5 mol 20 unq 1 iso 0 dist 6.6645 6.5996 6.09764 10.9098 7.43882 6.05944 numMergedOcc 0
6 mol 20 unq 2 iso 0 dist 6.6645 6.5996 6.09764 6.58627 7.31198 7.46656 numMergedOcc 0
7 mol 65 unq 0 iso 0 dist 8.00542 10.902 6.72639 7.67264 5.94206 5.51708 numMergedOcc 0
8 mol 65 unq 1 iso 0 dist 8.00542 6.92714 6.76508 7.67264 5.94206 6.47381 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 9.46176 12.4606 5.73743 10.6753 8.66165 10.1024 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 6.56503 6.59988 6.65501 11.8033 6.88901 7.06961 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 9.92781 5.04286 6.7117 7.77376 7.36769 7.94178 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 9.92781 5.04286 6.7117 9.39301 6.88901 4.4057 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 9.92781 10.4243 4.47349 7.77376 7.36769 9.85543 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 9.92781 10.4243 4.47349 9.39301 6.88901 9.67482 numMergedOcc 0
15 mol 98 unq 5 iso 0 dist 9.92781 10.9229 5.65185 7.77376 7.36769 7.28361 numMergedOcc 0
16 mol 98 unq 6 iso 0 dist 9.92781 10.9229 5.65185 9.39301 6.88901 12.0974 numMergedOcc 0
17 mol 98 unq 7 iso 0 dist 6.56349 10.5282 6.7117 13.9084 7.36769 7.94178 numMergedOcc 0
18 mol 98 unq 8 iso 0 dist 6.56349 10.5282 6.7117 8.82984 6.88901 4.4057 numMergedOcc 0
19 mol 98 unq 9 iso 0 dist 6.56349 6.5508 4.47349 13.9084 7.36769 9.85543 numMergedOcc 0
20 mol 98 unq 10 iso 0 dist 6.56349 6.5508 4.47349 8.82984 6.88901 9.67482 numMergedOcc 0
21 mol 98 unq 11 iso 0 dist 6.56349 10.457 5.65185 13.9084 7.36769 7.28361 numMergedOcc 0
22 mol 98 unq 12 iso 0 dist 6.56349 10.457 5.65185 8.82984 6.88901 12.0974 numMergedOcc 0
23 mol 113 unq 0 iso 0 dist 8.26447 7.84178 8.8822 10.0962 6.6317 7.27193 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 9.63746 13.1947 8.99399 7.50446 7.20249 7.45148 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 8.14068 15.5383 8.83865 5.22611 7.16346 12.0136 numMergedOcc 0
26 mol 273 unq 1 iso 0 dist 8.14068 15.8746 9.18157 5.22611 7.16346 12.1851 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 5.72538 5.87174 6.89451 6.49805 6.95912 7.83813 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 5.72538 5.87174 6.89451 6.49805 6.95912 7.83813 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 5.72538 5.87174 6.89451 6.49805 6.95912 7.83813 numMergedOcc 0
