0 mol 18 unq 0 iso 0 dist 8.51213 8.35401 13.06 11.0081 9.51761 15.4182 11.3758 7.3094 18.5795 9.70492 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 8.51213 8.35401 13.06 11.3758 7.3094 18.5795 11.0081 9.51761 15.4182 9.70492 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.80849 6.74914 4.79736 13.9888 8.86116 12.3058 10.1696 8.38394 10.6772 6.44287 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 6.80849 6.74914 4.79736 10.1696 8.38394 10.6772 13.9888 8.86116 12.3058 6.44287 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.47617 7.86479 8.6477 15.1595 8.80331 17.0655 8.14351 6.20293 12.9128 8.13395 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 8.47617 7.86479 8.6477 8.14351 6.20293 12.9128 15.1595 8.80331 17.0655 8.13395 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 8.55238 9.83419 4.93864 7.30086 7.88289 11.9072 10.7376 9.01083 10.5714 8.18643 numMergedOcc 0
7 mol 95 unq 0 iso 1 dist 8.55238 9.83419 4.93864 10.7376 9.01083 10.5714 7.30086 7.88289 11.9072 8.18643 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 4.31067 5.44426 3.9764 9.04817 5.08437 5.10496 4.70157 6.48948 5.92242 9.51923 numMergedOcc 0
9 mol 98 unq 0 iso 1 dist 4.31067 5.44426 3.9764 4.70157 6.48948 5.92242 9.04817 5.08437 5.10496 9.51923 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 4.31067 5.44426 3.9764 9.04817 5.08437 5.10496 6.21302 6.10456 5.2571 8.40073 numMergedOcc 0
11 mol 98 unq 1 iso 1 dist 4.31067 5.44426 3.9764 6.21302 6.10456 5.2571 9.04817 5.08437 5.10496 8.40073 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 4.31067 5.44426 3.9764 4.70157 6.48948 5.92242 6.21302 6.10456 5.2571 9.42358 numMergedOcc 0
13 mol 98 unq 1 iso 1 dist 4.31067 5.44426 3.9764 6.21302 6.10456 5.2571 4.70157 6.48948 5.92242 9.42358 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 4.31067 7.63284 7.03983 9.04817 5.08437 9.89095 4.70157 6.48948 7.02507 9.51923 numMergedOcc 0
15 mol 98 unq 2 iso 1 dist 4.31067 7.63284 7.03983 4.70157 6.48948 7.02507 9.04817 5.08437 9.89095 9.51923 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 4.31067 7.63284 7.03983 9.04817 5.08437 9.89095 6.21302 6.10456 12.7417 8.40073 numMergedOcc 0
17 mol 98 unq 3 iso 1 dist 4.31067 7.63284 7.03983 6.21302 6.10456 12.7417 9.04817 5.08437 9.89095 8.40073 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 4.31067 7.63284 7.03983 4.70157 6.48948 7.02507 6.21302 6.10456 12.7417 9.42358 numMergedOcc 0
19 mol 98 unq 3 iso 1 dist 4.31067 7.63284 7.03983 6.21302 6.10456 12.7417 4.70157 6.48948 7.02507 9.42358 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 5.11612 6.17349 4.48636 10.3475 9.33865 13.4105 6.86762 5.83991 7.69765 7.69052 numMergedOcc 0
21 mol 115 unq 0 iso 1 dist 5.11612 6.17349 4.48636 6.86762 5.83991 7.69765 10.3475 9.33865 13.4105 7.69052 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 5.11612 9.21978 6.63111 10.3475 9.33865 6.39384 6.86762 5.83991 9.42082 7.69052 numMergedOcc 0
23 mol 115 unq 1 iso 1 dist 5.11612 9.21978 6.63111 6.86762 5.83991 9.42082 10.3475 9.33865 6.39384 7.69052 numMergedOcc 0
24 mol 115 unq 2 iso 0 dist 5.22628 9.26505 6.95773 10.0419 9.33865 6.24825 6.8104 6.11741 10.0255 8.02349 numMergedOcc 0
25 mol 115 unq 2 iso 1 dist 5.22628 9.26505 6.95773 6.8104 6.11741 10.0255 10.0419 9.33865 6.24825 8.02349 numMergedOcc 0
26 mol 129 unq 0 iso 0 dist 7.00798 8.62413 12.1739 5.57978 8.54584 5.51197 6.05033 8.53613 9.97604 4.61027 numMergedOcc 0
27 mol 129 unq 0 iso 1 dist 7.00798 8.62413 12.1739 6.05033 8.53613 9.97604 5.57978 8.54584 5.51197 4.61027 numMergedOcc 0
28 mol 129 unq 1 iso 0 dist 7.00798 6.93102 5.63254 5.57978 8.54584 8.86944 6.05033 8.53613 11.1246 4.61027 numMergedOcc 0
29 mol 129 unq 1 iso 1 dist 7.00798 6.93102 5.63254 6.05033 8.53613 11.1246 5.57978 8.54584 8.86944 4.61027 numMergedOcc 0
30 mol 129 unq 2 iso 0 dist 7.00798 8.4375 8.26896 5.57978 8.54584 6.69691 6.05033 8.53613 10.5979 4.61027 numMergedOcc 0
31 mol 129 unq 2 iso 1 dist 7.00798 8.4375 8.26896 6.05033 8.53613 10.5979 5.57978 8.54584 6.69691 4.61027 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 8.94909 7.33743 15.0115 8.76089 7.11802 12.5855 6.80087 8.00618 8.77023 8.18495 numMergedOcc 0
33 mol 133 unq 0 iso 1 dist 8.94909 7.33743 15.0115 6.80087 8.00618 8.77023 8.76089 7.11802 12.5855 8.18495 numMergedOcc 0
34 mol 175 unq 0 iso 0 dist 7.94593 8.03208 5.00913 13.2723 9.0018 13.6764 8.63795 7.652 10.1305 7.42466 numMergedOcc 0
35 mol 175 unq 0 iso 1 dist 7.94593 8.03208 5.00913 8.63795 7.652 10.1305 13.2723 9.0018 13.6764 7.42466 numMergedOcc 0
36 mol 175 unq 1 iso 0 dist 7.94593 8.70409 5.42675 13.2723 9.0018 14.3303 8.63795 7.652 12.2424 7.42466 numMergedOcc 0
37 mol 175 unq 1 iso 1 dist 7.94593 8.70409 5.42675 8.63795 7.652 12.2424 13.2723 9.0018 14.3303 7.42466 numMergedOcc 0
38 mol 178 unq 0 iso 0 dist 7.14849 5.4647 6.42973 6.96904 6.69288 7.06025 7.57303 6.43573 10.0638 5.34677 numMergedOcc 0
39 mol 178 unq 0 iso 1 dist 7.14849 5.4647 6.42973 7.57303 6.43573 10.0638 6.96904 6.69288 7.06025 5.34677 numMergedOcc 0
40 mol 178 unq 1 iso 0 dist 7.14849 5.4647 6.42973 6.96904 6.69288 7.06025 14.0459 7.17202 13.2692 11.7381 numMergedOcc 0
41 mol 178 unq 1 iso 1 dist 7.14849 5.4647 6.42973 14.0459 7.17202 13.2692 6.96904 6.69288 7.06025 11.7381 numMergedOcc 0
42 mol 178 unq 2 iso 0 dist 7.14849 5.4647 6.42973 6.96904 6.69288 7.06025 14.3001 8.81551 15.0672 14.0703 numMergedOcc 0
43 mol 178 unq 2 iso 1 dist 7.14849 5.4647 6.42973 14.3001 8.81551 15.0672 6.96904 6.69288 7.06025 14.0703 numMergedOcc 0
44 mol 178 unq 1 iso 0 dist 7.14849 5.4647 6.42973 7.57303 6.43573 10.0638 14.0459 7.17202 13.2692 9.89739 numMergedOcc 0
45 mol 178 unq 1 iso 1 dist 7.14849 5.4647 6.42973 14.0459 7.17202 13.2692 7.57303 6.43573 10.0638 9.89739 numMergedOcc 0
46 mol 178 unq 2 iso 0 dist 7.14849 5.4647 6.42973 7.57303 6.43573 10.0638 14.3001 8.81551 15.0672 10.5529 numMergedOcc 0
47 mol 178 unq 2 iso 1 dist 7.14849 5.4647 6.42973 14.3001 8.81551 15.0672 7.57303 6.43573 10.0638 10.5529 numMergedOcc 0
48 mol 178 unq 2 iso 0 dist 7.14849 5.4647 6.42973 14.0459 7.17202 13.2692 14.3001 8.81551 15.0672 5.18005 numMergedOcc 0
49 mol 178 unq 2 iso 1 dist 7.14849 5.4647 6.42973 14.3001 8.81551 15.0672 14.0459 7.17202 13.2692 5.18005 numMergedOcc 0
50 mol 181 unq 0 iso 0 dist 7.15963 9.19831 9.83826 14.1493 9.1374 16.9717 6.73556 5.98885 13.7845 8.88798 numMergedOcc 0
51 mol 181 unq 0 iso 1 dist 7.15963 9.19831 9.83826 6.73556 5.98885 13.7845 14.1493 9.1374 16.9717 8.88798 numMergedOcc 0
52 mol 181 unq 1 iso 0 dist 7.15963 9.19831 9.83826 14.1493 9.1374 16.9717 5.49666 9.15386 13.131 12.1628 numMergedOcc 0
53 mol 181 unq 1 iso 1 dist 7.15963 9.19831 9.83826 5.49666 9.15386 13.131 14.1493 9.1374 16.9717 12.1628 numMergedOcc 0
54 mol 181 unq 1 iso 0 dist 7.15963 9.19831 9.83826 6.73556 5.98885 13.7845 5.49666 9.15386 13.131 5.16002 numMergedOcc 0
55 mol 181 unq 1 iso 1 dist 7.15963 9.19831 9.83826 5.49666 9.15386 13.131 6.73556 5.98885 13.7845 5.16002 numMergedOcc 0
56 mol 234 unq 0 iso 0 dist 6.15754 6.39499 5.53885 11.8245 8.34494 13.7549 12.4455 6.56247 11.1872 6.29886 numMergedOcc 0
57 mol 234 unq 0 iso 1 dist 6.15754 6.39499 5.53885 12.4455 6.56247 11.1872 11.8245 8.34494 13.7549 6.29886 numMergedOcc 0
58 mol 234 unq 1 iso 0 dist 6.15754 6.39499 5.53885 11.8245 8.34494 13.7549 14.0876 9.36357 10.5689 12.1694 numMergedOcc 0
59 mol 234 unq 1 iso 1 dist 6.15754 6.39499 5.53885 14.0876 9.36357 10.5689 11.8245 8.34494 13.7549 12.1694 numMergedOcc 0
60 mol 234 unq 1 iso 0 dist 6.15754 6.39499 5.53885 12.4455 6.56247 11.1872 14.0876 9.36357 10.5689 7.82322 numMergedOcc 0
61 mol 234 unq 1 iso 1 dist 6.15754 6.39499 5.53885 14.0876 9.36357 10.5689 12.4455 6.56247 11.1872 7.82322 numMergedOcc 0
62 mol 234 unq 2 iso 0 dist 8.9413 6.39499 3.95629 12.4455 9.45496 11.1872 14.0876 6.7625 10.5689 7.82322 numMergedOcc 0
63 mol 234 unq 2 iso 1 dist 8.9413 6.39499 3.95629 14.0876 6.7625 10.5689 12.4455 9.45496 11.1872 7.82322 numMergedOcc 0
