0 mol 7 unq 0 iso 0 dist 8.41585 6.28925 10.6847 9.87885 12.8323 5.35168 13.2247 12.2333 8.70159 6.1206 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 8.70159 4.87279 6.1206 7.12508 5.35168 13.2247 10.5461 6.28925 9.87885 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 8.8178 8.96978 8.39969 7.12321 4.27726 6.82436 5.36766 12.8385 11.9307 9.74228 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 8.8178 8.96978 8.39969 7.12321 4.27726 6.82436 8.24309 9.84449 11.4456 6.21799 numMergedOcc 0
4 mol 72 unq 2 iso 0 dist 9.96708 8.96978 4.45372 7.12321 7.47371 6.82436 5.36766 10.8086 11.9307 9.74228 numMergedOcc 0
5 mol 72 unq 3 iso 0 dist 9.96708 8.96978 4.45372 7.12321 7.47371 6.82436 8.24309 9.78528 11.4456 6.21799 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.38498 9.33919 15.9091 9.73086 17.4121 10.4668 5.4148 10.2049 9.79143 7.4369 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.96396 9.33919 7.9151 9.73086 5.70116 10.4668 5.4148 6.19304 9.79143 7.4369 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 6.19304 9.79143 7.9151 7.4369 5.70116 10.4668 5.4148 9.96396 9.33919 9.73086 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 8.70481 6.43377 7.9151 5.5087 11.2069 4.25755 8.07446 16.0098 9.83298 5.61588 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 8.70481 6.43377 7.9151 6.08682 10.6713 6.08046 8.07446 16.0098 9.83298 7.83244 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 9.75218 9.33919 5.44172 9.73086 14.844 10.4668 5.4148 11.6369 9.79143 7.4369 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 9.36773 6.066 6.81076 7.80898 12.1193 6.29943 12.1547 16.8013 10.0313 7.51139 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 8.87449 4.5985 5.1283 9.21662 9.39125 8.59989 10.8375 16.1937 12.5743 8.91882 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 8.73993 6.69217 11.3981 7.64052 9.68677 10.9729 9.93257 16.4353 9.70093 8.95212 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 8.73993 6.69217 11.3981 7.64052 9.68677 10.9729 4.85907 10.3704 11.3244 6.99446 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 6.18601 9.70093 10.6133 8.95212 4.39676 10.9729 10.9871 10.1813 11.3244 6.99446 numMergedOcc 0
17 mol 119 unq 3 iso 0 dist 6.18601 9.70093 10.6133 8.95212 4.39676 10.9729 9.93257 9.72413 6.69217 7.64052 numMergedOcc 0
18 mol 132 unq 0 iso 0 dist 7.7059 7.19937 10.8443 6.89918 12.9631 3.92897 4.35917 11.5751 10.0208 7.89457 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 7.81386 8.47008 7.45927 9.01624 5.71898 8.25265 11.5866 9.81747 13.0425 5.05973 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 7.63312 8.47008 5.83639 9.01624 5.93724 8.25265 11.5866 9.11469 13.0425 5.05973 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 9.45496 6.35438 8.83842 7.81215 12.4252 4.76962 10.2693 17.458 9.57132 5.64285 numMergedOcc 0
22 mol 234 unq 1 iso 0 dist 6.7625 6.35438 5.43327 7.81215 5.75498 4.76962 10.2693 10.701 9.57132 5.64285 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 6.16342 5.45139 4.86449 6.73665 10.6736 7.77371 11.347 16.5158 15.6017 9.34438 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 6.16342 5.45139 4.86449 6.73665 10.6736 7.77371 7.97994 13.7154 11.2051 9.35949 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 7.88519 7.64122 10.1317 7.66153 8.8603 11.464 4.69778 8.13497 11.9769 9.07743 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 7.84554 7.64122 8.53114 7.66153 5.8801 11.464 4.69778 9.95973 11.9769 9.07743 numMergedOcc 0
27 mol 259 unq 2 iso 0 dist 7.46176 7.64122 4.63899 7.66153 11.8896 11.464 4.69778 10.3935 11.9769 9.07743 numMergedOcc 0
28 mol 259 unq 3 iso 0 dist 9.18903 7.64122 8.41812 7.66153 5.81576 11.464 4.69778 12.6839 11.9769 9.07743 numMergedOcc 0
