0 mol 32 unq 0 iso 0 dist 8.68559 7.26268 5.57199 7.93694 7.18766 10.1386 8.91596 4.84198 6.37026 5.9972 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.09058 9.17838 8.47849 4.84988 9.54797 10.9551 7.15542 5.59994 3.3785 8.44353 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.09058 9.17838 8.47849 4.84988 9.54797 10.9551 8.89047 7.78417 9.71725 6.11249 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 8.09058 9.17838 8.47849 4.84988 9.54797 10.9551 8.89003 5.47187 7.56478 7.86326 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 8.09058 9.17838 8.47849 4.84988 9.54797 10.9551 9.21413 12.3016 12.2618 4.74786 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 4.55117 8.80108 7.03126 8.34191 3.8375 11.7295 8.88313 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.40841 8.69057 11.0945 4.55117 8.80108 7.03126 6.39747 6.11446 5.77163 5.48837 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 6.40841 8.69057 11.0945 5.64209 6.50297 13.3982 8.34191 3.8375 11.7295 7.07522 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 6.40841 8.69057 11.0945 5.64209 6.50297 13.3982 6.39747 6.11446 5.77163 9.15753 numMergedOcc 0
9 mol 58 unq 4 iso 0 dist 8.89374 8.96727 14.6599 12.7331 6.96494 20.5213 14.728 5.87305 20.0201 7.07522 numMergedOcc 0
10 mol 58 unq 5 iso 0 dist 8.89374 8.96727 14.6599 12.7331 6.96494 20.5213 19.8414 11.3972 25.597 9.15753 numMergedOcc 0
11 mol 58 unq 6 iso 0 dist 8.89374 8.96727 14.6599 7.05413 7.01363 15.7229 7.17488 4.43437 10.5853 8.98478 numMergedOcc 0
12 mol 58 unq 7 iso 0 dist 8.89374 8.01308 9.47022 12.7331 6.96494 16.0898 14.728 5.87305 14.2435 7.07522 numMergedOcc 0
13 mol 58 unq 8 iso 0 dist 8.89374 8.01308 9.47022 12.7331 6.96494 16.0898 19.8414 11.3972 19.8737 9.15753 numMergedOcc 0
14 mol 58 unq 9 iso 0 dist 8.89374 8.01308 9.47022 7.05413 7.01363 12.8612 7.17488 4.43437 5.11422 8.98478 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 8.66514 7.80898 7.15936 5.90098 7.71582 11.1055 9.07128 3.99025 9.11654 6.1847 numMergedOcc 0
16 mol 88 unq 1 iso 0 dist 8.66514 7.80898 7.15936 5.90098 7.71582 11.1055 6.65615 6.69123 10.8983 4.70557 numMergedOcc 0
17 mol 88 unq 2 iso 0 dist 9.25235 7.80898 10.8763 5.90098 6.65776 11.1055 9.07128 6.08504 9.11654 6.1847 numMergedOcc 0
18 mol 88 unq 3 iso 0 dist 9.25235 7.80898 10.8763 5.90098 6.65776 11.1055 6.65615 3.77436 10.8983 4.70557 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 6.73814 5.7144 4.81369 6.95201 8.39249 5.51885 12.7678 12.4143 8.25866 7.93956 numMergedOcc 0
20 mol 127 unq 0 iso 0 dist 9.81878 6.08673 12.2579 14.085 6.3244 17.7403 17.6043 10.1788 18.3258 9.70065 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 6.93652 8.07097 4.22522 7.57216 6.2135 10.25 7.46621 5.72856 8.53163 6.40751 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 8.53199 7.33709 11.6662 7.47048 6.75035 12.5343 7.84952 6.19774 13.5381 8.5244 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 5.50387 8.1945 3.92979 10.7506 8.75834 8.91356 18.3753 14.7677 14.9585 9.27079 numMergedOcc 0
24 mol 250 unq 0 iso 0 dist 8.80086 6.59244 6.0473 11.0402 7.88284 12.379 13.2027 6.14028 10.9455 6.61917 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 6.50589 9.30212 15.0646 5.31116 8.49866 12.703 13.2967 15.8795 16.3841 9.85661 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 6.50589 6.4611 5.70568 5.31116 8.49866 6.66172 13.2967 15.8795 10.6981 9.85661 numMergedOcc 0
