0 mol 6 unq 0 iso 0 dist 8.41625 9.27862 10.6457 9.87351 6.8041 14.1261 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 8.41625 6.17194 10.9641 9.87351 6.8041 12.1046 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 7.68446 6.65672 6.1378 5.92892 8.18296 10.7969 numMergedOcc 0
3 mol 12 unq 1 iso 0 dist 7.68446 6.65672 6.1378 4.80294 7.99569 9.8142 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 4.78749 5.42968 10.0962 6.2838 8.3964 7.85986 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 4.78749 5.94343 8.56474 6.2838 8.3964 4.30252 numMergedOcc 0
6 mol 36 unq 0 iso 0 dist 4.32337 6.78857 4.28628 6.99697 9.53334 8.37681 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 6.09042 8.32519 7.31044 8.86056 9.79863 15.3966 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 9.5663 8.85601 11.569 5.40109 9.23947 9.68314 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.23755 5.98764 13.8547 15.0981 6.82707 18.5563 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 9.48319 7.88265 8.73538 10.3314 7.65069 14.1927 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 7.40582 8.37507 5.63423 16.1172 8.96747 12.1774 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 8.98532 7.06722 10.8271 10.2731 6.15654 14.8897 numMergedOcc 0
13 mol 92 unq 2 iso 0 dist 8.98532 7.06722 10.8271 4.66752 7.89887 11.07 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 7.29309 5.58102 7.22521 5.91879 7.48563 7.55367 numMergedOcc 0
15 mol 102 unq 0 iso 0 dist 7.90927 9.00369 12.4961 12.5434 8.62829 19.6925 numMergedOcc 0
16 mol 102 unq 1 iso 0 dist 6.7095 9.00369 6.04036 11.7136 9.2062 6.07633 numMergedOcc 0
17 mol 128 unq 0 iso 0 dist 7.94925 7.12662 9.52999 5.8344 6.51968 11.8543 numMergedOcc 0
18 mol 128 unq 1 iso 0 dist 7.94925 7.12662 9.52999 10.172 7.61237 10.8446 numMergedOcc 0
19 mol 128 unq 2 iso 0 dist 7.94925 9.38 8.12622 5.8344 6.51968 12.3001 numMergedOcc 0
20 mol 128 unq 3 iso 0 dist 7.94925 9.38 8.12622 10.172 7.61237 7.4442 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 8.3097 5.96324 11.8994 14.894 8.71007 16.7237 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 8.3097 9.22913 5.93647 14.894 8.71007 6.75593 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 6.58174 8.47283 9.88337 11.4894 9.23676 13.0568 numMergedOcc 0
24 mol 226 unq 0 iso 0 dist 6.3687 7.4717 7.27859 6.62409 5.3747 10.2029 numMergedOcc 0
25 mol 250 unq 0 iso 0 dist 5.97672 6.83662 5.66551 5.61043 8.85979 11.9568 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 9.66298 8.55479 4.30068 11.7392 6.45102 9.41212 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 6.20998 7.96613 12.2408 7.30886 6.77259 11.5353 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 4.49395 5.93983 4.57431 9.67478 6.46935 9.23689 numMergedOcc 0
