0 mol 69 unq 0 iso 0 dist 9.57969 8.93237 10.8149 10.2162 6.9362 9.08745 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.514 9.22123 11.2088 12.7532 8.3773 17.3006 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 9.514 7.36335 12.3859 12.7532 8.3773 11.5595 numMergedOcc 0
3 mol 142 unq 0 iso 0 dist 7.57458 5.79144 4.05822 9.23267 7.81207 5.42679 numMergedOcc 0
4 mol 142 unq 1 iso 0 dist 7.57458 5.79144 4.05822 13.4776 7.18002 11.1832 numMergedOcc 0
5 mol 186 unq 0 iso 0 dist 7.66381 7.005 4.04122 6.01218 7.2793 9.34653 numMergedOcc 0
6 mol 186 unq 1 iso 0 dist 7.66381 7.005 4.04122 5.27656 9.51091 10.8711 numMergedOcc 0
7 mol 186 unq 2 iso 0 dist 7.66381 7.005 4.04122 13.9441 7.85184 10.8716 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 8.43584 5.32465 7.35363 14.6356 6.49765 13.7245 numMergedOcc 0
9 mol 213 unq 0 iso 0 dist 4.58599 6.81437 3.62097 9.45322 8.22569 10.8822 numMergedOcc 0
10 mol 238 unq 0 iso 0 dist 5.56719 9.91332 11.003 12.046 9.72188 20.5281 numMergedOcc 0
11 mol 257 unq 0 iso 0 dist 8.69184 9.62817 11.657 6.70515 6.34915 13.5233 numMergedOcc 0
12 mol 257 unq 1 iso 0 dist 8.18901 9.62817 7.41143 6.70515 7.81897 13.5233 numMergedOcc 0
13 mol 264 unq 0 iso 0 dist 7.22789 7.33027 3.35448 8.41904 5.90058 8.55386 numMergedOcc 0
14 mol 277 unq 0 iso 0 dist 9.02914 9.48076 16.4508 13.3706 5.46926 21.0741 numMergedOcc 0
15 mol 277 unq 1 iso 0 dist 9.02914 9.48076 16.4508 12.1739 5.13913 20.7604 numMergedOcc 0
16 mol 277 unq 2 iso 0 dist 6.90434 9.48076 16.2423 8.51268 9.35539 13.7459 numMergedOcc 0
17 mol 277 unq 3 iso 0 dist 6.90434 9.48076 16.2423 13.3706 8.9682 21.0741 numMergedOcc 0
18 mol 277 unq 4 iso 0 dist 6.90434 9.48076 16.2423 12.1739 6.92711 20.7604 numMergedOcc 0
19 mol 277 unq 5 iso 0 dist 9.98528 9.98309 6.7745 19.5312 9.57499 13.9391 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 8.85762 8.87017 3.51781 7.42656 6.86234 8.96231 numMergedOcc 0
21 mol 284 unq 0 iso 0 dist 8.42412 9.50506 6.92064 6.34668 6.41303 11.6898 numMergedOcc 0
