0 mol 1 unq 0 iso 0 dist 8.27735 8.7275 4.50502 5.27206 9.00903 10.8992 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 8.51213 8.35401 13.06 11.0081 9.51761 15.4182 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 8.51213 8.35401 13.06 11.3758 7.3094 18.5795 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.13365 6.77987 10.2876 10.5449 6.86014 15.5096 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.80849 6.74914 4.79736 13.9888 8.86116 12.3058 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 6.80849 6.74914 4.79736 10.1696 8.38394 10.6772 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 8.19077 6.12374 4.40004 6.12182 7.50293 7.26639 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.99509 7.86479 11.2061 8.14351 5.73819 12.9128 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.47617 7.86479 8.6477 15.1595 8.80331 17.0655 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 8.47617 7.86479 8.6477 8.14351 6.20293 12.9128 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 5.73331 7.86479 6.33831 8.14351 8.93915 12.9128 numMergedOcc 0
11 mol 51 unq 0 iso 0 dist 8.99612 9.07954 4.32726 10.2637 9.0709 10.2245 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 9.32453 8.25047 6.77898 8.18176 6.97941 9.76346 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 8.55238 9.83419 4.93864 7.30086 7.88289 11.9072 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 8.55238 9.83419 4.93864 10.7376 9.01083 10.5714 numMergedOcc 0
15 mol 95 unq 2 iso 0 dist 9.17862 9.77082 3.94537 15.821 7.27724 9.3948 numMergedOcc 0
16 mol 95 unq 3 iso 0 dist 8.27456 8.0675 3.94537 9.7565 7.27724 9.3948 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 4.31067 5.44426 3.9764 9.04817 5.08437 5.10496 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 4.31067 5.44426 3.9764 4.70157 6.48948 5.92242 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 4.31067 5.44426 3.9764 6.21302 6.10456 5.2571 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 4.31067 7.63284 7.03983 9.04817 5.08437 9.89095 numMergedOcc 0
21 mol 98 unq 4 iso 0 dist 4.31067 7.63284 7.03983 4.70157 6.48948 7.02507 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 4.31067 7.63284 7.03983 6.21302 6.10456 12.7417 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 5.11612 6.17349 4.48636 10.3475 9.33865 13.4105 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 5.11612 6.17349 4.48636 6.86762 5.83991 7.69765 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 5.11612 9.21978 6.63111 10.3475 9.33865 6.39384 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 5.11612 9.21978 6.63111 6.86762 5.83991 9.42082 numMergedOcc 0
27 mol 115 unq 4 iso 0 dist 5.22628 9.26505 6.95773 10.0419 9.33865 6.24825 numMergedOcc 0
28 mol 115 unq 5 iso 0 dist 5.22628 9.26505 6.95773 6.8104 6.11741 10.0255 numMergedOcc 0
29 mol 117 unq 0 iso 0 dist 9.60425 5.20001 6.57678 5.17524 9.84395 6.10127 numMergedOcc 0
30 mol 129 unq 0 iso 0 dist 7.00798 8.62413 12.1739 5.57978 8.54584 5.51197 numMergedOcc 0
31 mol 129 unq 1 iso 0 dist 7.00798 8.62413 12.1739 6.05033 8.53613 9.97604 numMergedOcc 0
32 mol 129 unq 2 iso 0 dist 7.00798 6.93102 5.63254 5.57978 8.54584 8.86944 numMergedOcc 0
33 mol 129 unq 3 iso 0 dist 7.00798 6.93102 5.63254 6.05033 8.53613 11.1246 numMergedOcc 0
34 mol 129 unq 4 iso 0 dist 7.00798 8.4375 8.26896 5.57978 8.54584 6.69691 numMergedOcc 0
35 mol 129 unq 5 iso 0 dist 7.00798 8.4375 8.26896 6.05033 8.53613 10.5979 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 8.94909 7.33743 15.0115 8.76089 7.11802 12.5855 numMergedOcc 0
37 mol 133 unq 1 iso 0 dist 8.94909 7.33743 15.0115 6.80087 8.00618 8.77023 numMergedOcc 0
38 mol 175 unq 0 iso 0 dist 7.94593 8.03208 5.00913 13.2723 9.0018 13.6764 numMergedOcc 0
39 mol 175 unq 1 iso 0 dist 7.94593 8.03208 5.00913 8.63795 7.652 10.1305 numMergedOcc 0
40 mol 175 unq 2 iso 0 dist 7.94593 8.70409 5.42675 13.2723 9.0018 14.3303 numMergedOcc 0
41 mol 175 unq 3 iso 0 dist 7.94593 8.70409 5.42675 8.63795 7.652 12.2424 numMergedOcc 0
42 mol 178 unq 0 iso 0 dist 7.14849 5.4647 6.42973 6.96904 6.69288 7.06025 numMergedOcc 0
43 mol 178 unq 1 iso 0 dist 7.14849 5.4647 6.42973 7.57303 6.43573 10.0638 numMergedOcc 0
44 mol 178 unq 2 iso 0 dist 7.14849 5.4647 6.42973 14.0459 7.17202 13.2692 numMergedOcc 0
45 mol 178 unq 3 iso 0 dist 7.14849 5.4647 6.42973 14.3001 8.81551 15.0672 numMergedOcc 0
46 mol 181 unq 0 iso 0 dist 9.50454 9.19831 4.61184 11.755 7.63312 11.7785 numMergedOcc 0
47 mol 181 unq 1 iso 0 dist 7.15963 9.19831 9.83826 14.1493 9.1374 16.9717 numMergedOcc 0
48 mol 181 unq 2 iso 0 dist 7.15963 9.19831 9.83826 6.73556 5.98885 13.7845 numMergedOcc 0
49 mol 181 unq 3 iso 0 dist 7.15963 9.19831 9.83826 5.49666 9.15386 13.131 numMergedOcc 0
50 mol 234 unq 0 iso 0 dist 6.15754 6.39499 5.53885 11.8245 8.34494 13.7549 numMergedOcc 0
51 mol 234 unq 1 iso 0 dist 6.15754 6.39499 5.53885 12.4455 6.56247 11.1872 numMergedOcc 0
52 mol 234 unq 2 iso 0 dist 6.15754 6.39499 5.53885 14.0876 9.36357 10.5689 numMergedOcc 0
53 mol 234 unq 3 iso 0 dist 8.9413 6.39499 3.95629 12.4455 9.45496 11.1872 numMergedOcc 0
54 mol 234 unq 4 iso 0 dist 8.9413 6.39499 3.95629 14.0876 6.7625 10.5689 numMergedOcc 0
55 mol 241 unq 0 iso 0 dist 8.18588 6.2767 11.1708 10.2076 7.4631 14.8735 numMergedOcc 0
56 mol 243 unq 0 iso 0 dist 8.69557 8.8602 5.71505 9.51148 8.23192 8.69318 numMergedOcc 0
57 mol 243 unq 1 iso 0 dist 4.89168 9.49016 5.71505 6.50608 8.23192 8.69318 numMergedOcc 0
58 mol 243 unq 2 iso 0 dist 4.89168 8.92798 4.81639 6.50608 8.23192 11.4025 numMergedOcc 0
