0 mol 14 unq 0 iso 0 dist 8.64855 15.5387 9.58196 18.7517 10.9516 8.60571 14.0636 5.53425 9.7022 7.12085 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 8.64855 15.5387 9.58196 18.7517 10.9516 8.60571 11.8313 4.53725 9.04767 11.3111 numMergedOcc 0
2 mol 14 unq 2 iso 0 dist 7.94714 11.2303 9.04767 17.5262 11.3111 8.60571 13.4426 5.67201 9.7022 7.12085 numMergedOcc 0
3 mol 14 unq 3 iso 0 dist 7.94714 11.2303 9.04767 17.5262 11.3111 8.60571 10.556 4.53725 9.58196 10.9516 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.43143 16.2349 9.96708 19.7927 11.6369 6.7212 16.5383 8.24309 9.78528 6.12361 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 5.48831 13.0773 9.96708 18.4493 15.0607 6.68311 15.2832 10.7394 8.8178 8.1124 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 9.50575 6.68557 5.11551 9.17664 5.47689 6.55511 12.88 6.5838 7.11972 6.00348 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 8.43116 4.96719 5.11551 9.18913 5.47689 6.55511 6.23645 6.5838 7.11972 6.00348 numMergedOcc 0
8 mol 115 unq 2 iso 0 dist 6.23645 4.96719 7.11972 9.18913 6.00348 6.55511 8.43116 6.5838 5.11551 5.47689 numMergedOcc 0
9 mol 115 unq 3 iso 0 dist 6.23645 6.47836 6.90986 9.60261 5.14332 8.46684 9.62812 5.67807 5.39945 5.28643 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 7.5055 10.9541 8.22656 8.82079 7.33132 9.79004 13.494 6.65743 7.24514 10.0277 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 5.79157 14.1608 9.71307 16.096 12.0971 7.27598 9.87619 6.81259 6.37586 6.50005 numMergedOcc 0
12 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 15.4113 8.68855 7.15087 13.95 5.32922 5.31024 5.50176 numMergedOcc 0
13 mol 142 unq 1 iso 0 dist 4.93681 12.8283 9.2313 11.5686 8.68855 7.15087 9.86383 5.32922 5.31024 5.50176 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.74465 8.42326 8.03334 15.6915 14.0828 8.90247 17.2412 13.2049 9.1374 5.114 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.77347 6.05728 7.54065 10.4734 8.61343 5.16813 15.5541 13.8792 9.70748 5.87924 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 8.77347 6.05728 7.54065 10.4734 8.61343 5.16813 10.7364 5.74635 8.87694 11.0854 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 7.38315 10.6994 7.32223 14.029 9.23512 7.26981 13.8059 7.25988 8.31064 10.8952 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 7.38315 10.6994 7.32223 18.6319 12.3948 9.02643 13.8059 7.25988 8.31064 8.25257 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 9.2067 9.88911 6.42289 14.3247 6.50871 8.9706 11.1938 7.26417 6.60405 5.70285 numMergedOcc 0
