0 mol 7 unq 0 iso 0 dist 5.51421 7.81271 5.13353 6.769 6.8464 9.15183 10.6104 8.41585 11.659 5.0893 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 9.00229 8.05508 11.2395 12.9552 9.75265 18.0959 10.1484 8.95999 14.2832 5.03467 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 9.65047 8.69069 15.3836 16.8321 9.64673 23.6213 5.33325 7.27724 12.5309 12.0894 numMergedOcc 0
3 mol 95 unq 1 iso 0 dist 9.65047 8.69069 15.3836 16.8321 9.64673 23.6213 5.69671 8.03644 11.659 16.4832 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 7.15985 7.53905 10.838 12.3624 9.90769 19.1112 6.68714 9.60462 11.438 13.4578 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 7.15985 7.53905 10.838 12.3624 9.90769 19.1112 6.71889 7.45389 13.9719 6.69178 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 9.28278 8.78082 10.5871 4.74644 8.00624 8.42289 14.5776 8.54584 17.1395 15.4586 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.50322 5.82404 8.18495 15.9933 9.1146 15.6213 5.37072 7.11802 8.00618 11.0256 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 9.92932 9.60411 5.49782 5.73962 9.16358 6.48328 10.5108 8.94367 6.37586 10.0911 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 9.92932 9.60411 5.49782 5.73962 9.16358 6.48328 6.20443 9.86662 9.71307 9.66197 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 9.60411 9.92932 5.49782 5.73962 6.48328 9.16358 10.5108 6.37586 8.94367 10.0911 numMergedOcc 0
11 mol 134 unq 3 iso 0 dist 9.60411 9.92932 5.49782 5.73962 6.48328 9.16358 6.20443 9.71307 9.86662 9.66197 numMergedOcc 0
12 mol 134 unq 4 iso 0 dist 9.55556 9.60369 5.62899 10.971 9.16358 14.1509 11.9294 8.94367 11.7385 10.0911 numMergedOcc 0
13 mol 134 unq 5 iso 0 dist 9.55556 9.60369 5.62899 10.971 9.16358 14.1509 6.36794 9.86662 11.3835 9.66197 numMergedOcc 0
14 mol 206 unq 0 iso 0 dist 9.36079 8.46319 7.73294 15.9979 8.11407 11.7131 13.6173 7.7366 13.9342 7.72969 numMergedOcc 0
15 mol 206 unq 1 iso 0 dist 7.42904 9.11298 7.73294 13.397 8.11407 11.7131 9.96254 7.7366 13.9342 7.72969 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 8.46129 8.39002 5.0744 6.32111 8.80858 10.8126 6.31508 6.65832 10.103 4.46743 numMergedOcc 0
17 mol 224 unq 1 iso 0 dist 8.46129 8.39002 5.0744 6.32111 8.80858 10.8126 5.72088 6.60589 6.57273 4.93626 numMergedOcc 0
18 mol 224 unq 2 iso 0 dist 8.46129 8.39002 5.0744 6.32111 8.80858 10.8126 6.51315 9.16166 5.78342 11.8641 numMergedOcc 0
19 mol 224 unq 3 iso 0 dist 8.46129 9.2053 6.91102 6.32111 8.80858 13.3427 6.31508 6.65832 10.9745 4.46743 numMergedOcc 0
20 mol 224 unq 4 iso 0 dist 8.46129 9.2053 6.91102 6.32111 8.80858 13.3427 5.72088 6.60589 10.5128 4.93626 numMergedOcc 0
21 mol 224 unq 5 iso 0 dist 8.46129 9.2053 6.91102 6.32111 8.80858 13.3427 6.51315 9.16166 5.81334 11.8641 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 9.89665 9.05929 14.7998 4.93347 6.61371 12.4813 4.38595 6.84306 8.35971 5.03564 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 9.89665 9.05929 14.7998 4.93347 6.61371 12.4813 11.247 7.68742 11.2141 9.63949 numMergedOcc 0
24 mol 236 unq 2 iso 0 dist 6.11137 7.89744 6.59448 4.24722 5.90804 10.7277 15.1664 9.99038 13.864 13.6195 numMergedOcc 0
25 mol 236 unq 3 iso 0 dist 6.11137 7.89744 6.59448 4.24722 5.90804 10.7277 9.01197 6.27581 10.9008 7.45579 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 9.73983 8.65236 7.00201 5.96176 7.00833 10.0402 4.49913 8.45658 9.14619 6.75336 numMergedOcc 0
