0 mol 109 unq 0 iso 0 dist 7.24527 12.7749 8.39771 8.77144 9.20981 17.5575 numMergedOcc 0
1 mol 124 unq 0 iso 0 dist 6.71293 4.04981 7.23052 11.045 6.83051 10.5562 numMergedOcc 0
2 mol 124 unq 1 iso 0 dist 6.71293 4.04981 7.23052 11.7813 9.28376 12.5603 numMergedOcc 0
3 mol 134 unq 0 iso 0 dist 8.84656 11.831 5.67862 13.386 5.42582 6.30187 numMergedOcc 0
4 mol 134 unq 1 iso 0 dist 4.9155 11.831 7.97208 13.386 8.6355 6.30187 numMergedOcc 0
5 mol 134 unq 2 iso 0 dist 8.49987 16.217 7.97208 15.6111 8.6355 6.30187 numMergedOcc 0
6 mol 134 unq 3 iso 0 dist 9.42271 15.4806 7.97208 11.8215 8.6355 6.30187 numMergedOcc 0
7 mol 155 unq 0 iso 0 dist 8.00286 6.26411 6.53758 10.949 8.87452 6.40439 numMergedOcc 0
8 mol 155 unq 1 iso 0 dist 8.00286 6.26411 6.53758 12.5071 7.68368 6.76022 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 8.14644 6.4634 8.9077 8.02272 6.84247 10.4277 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 8.14644 6.4634 8.9077 9.32762 6.99002 12.6281 numMergedOcc 0
11 mol 227 unq 0 iso 0 dist 9.66521 9.54396 6.095 5.52296 5.86443 5.17887 numMergedOcc 0
12 mol 227 unq 1 iso 0 dist 9.66521 9.54396 6.095 6.32385 7.22914 5.52229 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 5.77925 12.9448 9.97357 11.3746 7.17676 11.4732 numMergedOcc 0
14 mol 236 unq 1 iso 0 dist 5.77925 12.9448 9.97357 5.79263 6.68463 14.1057 numMergedOcc 0
15 mol 240 unq 0 iso 0 dist 7.6664 7.4587 6.01168 7.49446 6.15305 6.40204 numMergedOcc 0
16 mol 240 unq 1 iso 0 dist 7.6664 7.4587 6.01168 6.30896 8.0951 11.4113 numMergedOcc 0
17 mol 240 unq 2 iso 0 dist 7.6664 9.99502 6.83069 7.49446 6.15305 10.6805 numMergedOcc 0
18 mol 240 unq 3 iso 0 dist 7.6664 9.99502 6.83069 6.30896 8.0951 5.79056 numMergedOcc 0
19 mol 256 unq 0 iso 0 dist 9.51272 9.39044 7.54586 9.94758 8.09363 5.34142 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 8.49415 13.5795 7.54805 9.3596 6.34034 8.3872 numMergedOcc 0
21 mol 284 unq 0 iso 0 dist 6.83147 10.318 9.41428 8.84794 8.41504 5.90634 numMergedOcc 0
22 mol 284 unq 1 iso 0 dist 6.83147 4.57881 7.32482 8.84794 8.41504 9.91995 numMergedOcc 0
23 mol 284 unq 2 iso 0 dist 6.83147 5.38165 8.08993 8.84794 8.41504 9.65436 numMergedOcc 0
24 mol 284 unq 3 iso 0 dist 7.43241 5.38165 7.34344 4.89439 4.86729 5.83318 numMergedOcc 0
