0 mol 1 unq 0 iso 0 dist 8.27735 8.7275 4.50502 9.02078 10.488 6.86701 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 7.88429 7.46409 10.6154 13.0943 15.9133 5.93898 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 9.70612 6.12374 10.622 6.12182 15.1366 7.26639 numMergedOcc 0
3 mol 38 unq 1 iso 0 dist 6.46781 6.12374 6.10572 6.12182 10.3882 7.26639 numMergedOcc 0
4 mol 38 unq 2 iso 0 dist 8.19077 6.12374 4.40004 6.12182 7.50293 7.26639 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.51543 8.18572 5.31985 13.7055 10.0992 8.13108 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 9.32453 8.25047 6.77898 6.4988 12.4242 8.23026 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 9.10877 5.46186 12.9351 10.2851 18.6831 9.22631 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.17862 9.77082 3.94537 15.821 7.27724 9.3948 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 8.27456 8.0675 3.94537 9.7565 7.27724 9.3948 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 4.31067 5.44426 3.9764 9.04817 5.08437 5.10496 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 4.31067 5.44426 3.9764 4.70157 6.48948 5.92242 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 4.31067 5.44426 3.9764 6.21302 6.10456 5.2571 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 4.31067 5.44426 3.9764 11.2075 10.1136 8.7497 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 4.31067 7.63284 7.03983 4.70157 6.48948 7.02507 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 5.11612 6.17349 4.48636 6.86762 5.83991 7.69765 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 5.11612 9.21978 6.63111 10.3475 9.33865 6.39384 numMergedOcc 0
17 mol 115 unq 2 iso 0 dist 5.11612 9.21978 6.63111 6.86762 5.83991 9.42082 numMergedOcc 0
18 mol 115 unq 3 iso 0 dist 5.22628 9.26505 6.95773 10.0419 9.33865 6.24825 numMergedOcc 0
19 mol 117 unq 0 iso 0 dist 9.60425 5.20001 6.57678 5.17524 9.84395 6.10127 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 7.00798 8.62413 12.1739 5.57978 8.54584 5.51197 numMergedOcc 0
21 mol 129 unq 1 iso 0 dist 7.00798 6.93102 5.63254 5.57978 8.54584 8.86944 numMergedOcc 0
22 mol 129 unq 2 iso 0 dist 7.00798 8.4375 8.26896 5.57978 8.54584 6.69691 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 8.94909 7.33743 15.0115 6.80087 8.00618 8.77023 numMergedOcc 0
24 mol 178 unq 0 iso 0 dist 7.14849 5.4647 6.42973 6.96904 6.69288 7.06025 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 9.23844 8.15661 5.53809 5.74363 12.9375 9.35274 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 7.40081 8.79662 10.0028 13.3218 16.3122 7.48954 numMergedOcc 0
27 mol 241 unq 0 iso 0 dist 8.18588 6.2767 11.1708 7.9304 15.9786 7.95042 numMergedOcc 0
28 mol 243 unq 0 iso 0 dist 8.69557 8.8602 5.71505 9.51148 8.23192 8.69318 numMergedOcc 0
29 mol 243 unq 1 iso 0 dist 4.89168 9.49016 5.71505 6.50608 8.23192 8.69318 numMergedOcc 0
30 mol 243 unq 2 iso 0 dist 9.39147 8.8602 11.8376 9.51148 16.5593 8.69318 numMergedOcc 0
