0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 5.99459 6.88805 8.0744 7.78327 13.5229 10.6558 7.00508 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 5.99459 6.88805 11.7002 7.78327 13.5229 13.5227 7.00508 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.54419 4.93188 4.33963 6.6219 4.82629 8.32592 8.23075 6.7846 4.21283 10.1923 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 5.54419 4.93188 4.33963 6.6219 4.82629 8.32592 4.7841 8.03955 4.97191 9.92483 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 5.54419 4.93188 4.33963 5.68215 10.1698 8.10397 8.23075 6.7846 4.21283 9.24731 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 5.54419 4.93188 4.33963 5.68215 10.1698 8.10397 4.7841 8.03955 4.97191 3.53396 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 7.31767 5.81959 7.63409 7.6114 6.10919 11.4877 7.03372 7.23535 6.32857 9.34154 numMergedOcc 0
7 mol 25 unq 1 iso 0 dist 6.03987 5.81959 8.4666 7.6114 5.86705 11.4877 7.03372 9.92243 6.32857 9.34154 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.80331 9.93832 9.06158 6.6263 5.41726 4.55347 7.39848 9.86609 6.59887 5.14161 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.70481 8.85586 14.8866 5.5087 11.2069 5.50891 7.37171 15.1432 12.6176 10.0644 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 8.70481 8.85586 14.8866 6.08682 10.6713 4.75954 7.37171 15.1432 12.6176 12.1501 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 8.70481 7.11 8.05119 5.5087 11.2069 7.50869 7.37171 15.1432 14.2305 10.0644 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 8.70481 7.11 8.05119 6.08682 10.6713 3.6807 7.37171 15.1432 14.2305 12.1501 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.95579 7.33422 6.82174 7.7068 6.36397 6.33204 8.04242 5.76272 9.09756 11.1225 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 6.19965 7.33422 7.91778 7.7068 4.41789 6.33204 8.04242 8.18948 9.09756 11.1225 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 7.66905 7.33422 10.121 7.7068 5.59906 6.33204 8.04242 14.113 9.09756 11.1225 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 7.36975 13.1926 9.05786 8.99891 9.14188 7.87644 14.4074 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 5.99315 8.41611 12.7056 5.40637 7.39837 6.16103 8.99891 9.14188 7.87644 5.94217 numMergedOcc 0
18 mol 143 unq 2 iso 0 dist 5.99315 7.63338 12.8872 7.36975 13.1926 3.75378 8.99891 9.14188 13.5899 14.4074 numMergedOcc 0
19 mol 143 unq 3 iso 0 dist 5.99315 7.63338 12.8872 5.40637 7.39837 8.4697 8.99891 9.14188 13.5899 5.94217 numMergedOcc 0
20 mol 143 unq 4 iso 0 dist 5.99315 9.03707 7.76364 7.36975 13.1926 14.0356 8.99891 9.14188 9.13604 14.4074 numMergedOcc 0
21 mol 143 unq 5 iso 0 dist 5.99315 9.03707 7.76364 5.40637 7.39837 5.41614 8.99891 9.14188 9.13604 5.94217 numMergedOcc 0
22 mol 143 unq 6 iso 0 dist 5.99315 7.25673 9.23795 7.36975 13.1926 9.30534 8.99891 9.14188 12.6218 14.4074 numMergedOcc 0
23 mol 143 unq 7 iso 0 dist 5.99315 7.25673 9.23795 5.40637 7.39837 6.78032 8.99891 9.14188 12.6218 5.94217 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 8.56324 9.77552 9.35627 6.59889 5.39112 4.71678 7.55934 9.73449 6.69469 5.12696 numMergedOcc 0
25 mol 152 unq 1 iso 0 dist 8.56324 9.77552 9.35627 8.9192 4.84714 7.11377 7.55934 9.73449 6.69469 6.04238 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 9.29945 5.4969 12.3408 9.63417 11.0361 9.37652 9.19156 13.8965 6.41193 14.8784 numMergedOcc 0
27 mol 175 unq 1 iso 0 dist 9.29945 6.4318 8.68081 9.63417 11.0361 4.52999 9.19156 13.8965 10.568 14.8784 numMergedOcc 0
28 mol 175 unq 2 iso 0 dist 9.29945 7.35824 12.5754 9.63417 11.0361 5.68406 9.19156 13.8965 14.7729 14.8784 numMergedOcc 0
29 mol 175 unq 3 iso 0 dist 9.29945 9.17364 10.0424 9.63417 11.0361 9.31641 9.19156 13.8965 18.0583 14.8784 numMergedOcc 0
30 mol 178 unq 0 iso 0 dist 6.69288 4.92088 10.1489 9.11204 8.44333 7.79894 4.72821 4.69387 8.56547 9.56928 numMergedOcc 0
31 mol 178 unq 1 iso 0 dist 6.43573 4.92088 8.27339 9.11204 6.8202 7.79894 4.72821 3.70233 8.56547 9.56928 numMergedOcc 0
32 mol 178 unq 2 iso 0 dist 7.17202 4.92088 9.79302 9.11204 14.9499 7.79894 4.72821 7.39705 8.56547 9.56928 numMergedOcc 0
33 mol 178 unq 3 iso 0 dist 8.81551 4.92088 8.65097 9.11204 14.2467 7.79894 4.72821 9.77268 8.56547 9.56928 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 6.71524 5.10213 8.03712 8.25985 4.04428 6.20756 3.43286 numMergedOcc 0
35 mol 232 unq 1 iso 0 dist 8.27212 7.83711 8.25884 6.71524 5.10213 8.03712 9.27788 4.22149 11.7554 5.45761 numMergedOcc 0
36 mol 248 unq 0 iso 0 dist 7.69895 6.17052 5.99459 9.05018 4.58289 7.14182 7.79063 6.19721 4.91893 9.81612 numMergedOcc 0
