0 mol 93 unq 0 iso 0 dist 9.43355 3.74136 7.8435 10.4641 16.1023 9.81831 5.77804 12.1673 7.85041 8.58164 numMergedOcc 0
1 mol 93 unq 1 iso 0 dist 9.43355 3.74136 7.8435 11.1217 12.4934 9.12858 5.77804 12.1673 7.85041 9.67788 numMergedOcc 0
2 mol 93 unq 2 iso 0 dist 9.43355 3.74136 7.8435 9.10877 10.8106 9.4523 5.77804 12.1673 7.85041 5.33106 numMergedOcc 0
3 mol 93 unq 3 iso 0 dist 5.64141 3.74136 5.99269 10.4641 13.1721 9.81831 5.77804 7.30779 7.85041 8.58164 numMergedOcc 0
4 mol 93 unq 4 iso 0 dist 5.64141 3.74136 5.99269 11.1217 11.0537 9.12858 5.77804 7.30779 7.85041 9.67788 numMergedOcc 0
5 mol 93 unq 5 iso 0 dist 5.64141 3.74136 5.99269 9.10877 7.14217 9.4523 5.77804 7.30779 7.85041 5.33106 numMergedOcc 0
6 mol 93 unq 6 iso 0 dist 5.46186 3.74136 5.71763 10.4641 9.34182 9.81831 5.77804 9.18194 7.85041 8.58164 numMergedOcc 0
7 mol 93 unq 7 iso 0 dist 5.46186 3.74136 5.71763 11.1217 12.0103 9.12858 5.77804 9.18194 7.85041 9.67788 numMergedOcc 0
8 mol 93 unq 8 iso 0 dist 5.46186 3.74136 5.71763 9.10877 12.9351 9.4523 5.77804 9.18194 7.85041 5.33106 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 5.80831 8.169 5.43933 14.4863 10.5563 6.43433 13.1333 8.36589 7.82011 6.72991 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 5.80831 8.169 5.43933 17.5335 12.6108 9.92283 13.1333 8.36589 7.82011 8.57646 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 8.73613 5.78019 9.43989 10.823 12.068 5.49226 7.9061 11.4653 5.1101 5.08802 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 8.73613 5.78019 9.43989 10.823 12.068 5.49226 4.48898 7.68412 7.01133 10.1972 numMergedOcc 0
13 mol 147 unq 2 iso 0 dist 8.73613 5.78019 9.43989 9.23551 5.59468 6.28351 7.9061 11.4653 5.1101 8.59354 numMergedOcc 0
14 mol 147 unq 3 iso 0 dist 8.73613 5.78019 9.43989 9.23551 5.59468 6.28351 4.48898 7.68412 7.01133 8.54341 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 6.68721 4.19444 6.11331 9.03632 13.7172 7.88319 7.63085 9.88872 6.39981 6.63727 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 9.31829 6.02267 6.07821 12.2095 4.48323 7.25742 10.0112 4.27525 7.13269 4.57561 numMergedOcc 0
17 mol 178 unq 0 iso 0 dist 5.4647 6.72936 8.25282 7.14849 6.42973 4.92088 8.71031 5.88866 5.98771 5.25267 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.22792 7.74227 7.04815 17.566 13.6744 9.83476 10.8278 5.93479 7.94153 13.1933 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 5.00402 7.74227 6.07389 17.566 15.0914 9.83476 10.8278 5.86306 7.94153 13.1933 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 7.9002 8.96094 9.87668 14.4678 17.3148 8.87609 10.5309 13.317 7.29542 5.06326 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 6.66615 5.50333 7.14086 10.5026 11.4167 6.04162 10.7464 9.04569 9.42738 8.16326 numMergedOcc 0
22 mol 264 unq 1 iso 0 dist 6.66615 5.50333 7.14086 10.25 13.2035 6.14323 10.7464 9.04569 9.42738 12.3807 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 5.35326 4.81143 5.8304 10.2545 6.5644 8.29305 10.7792 6.25207 8.23056 5.3373 numMergedOcc 0
24 mol 279 unq 1 iso 0 dist 5.35326 4.81143 5.8304 10.8638 9.40912 6.43341 10.7792 6.25207 8.23056 7.18967 numMergedOcc 0
