0 mol 24 unq 0 iso 0 dist 6.40189 10.212 8.87744 10.6956 6.28159 7.36323 14.2153 10.4135 12.3067 5.54419 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.22014 10.212 7.27472 10.6956 5.50396 7.36323 14.2153 9.33482 12.3067 5.54419 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.86485 7.71984 9.22598 9.74058 9.87158 6.62496 9.89708 13.3281 5.30792 6.86465 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 6.86485 7.71984 9.22598 9.74058 9.87158 6.62496 4.67517 8.96727 4.81926 6.35756 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 6.86485 4.67517 8.96727 9.74058 9.87158 6.35756 9.89708 13.3281 5.35073 6.86465 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 6.86485 4.67517 8.96727 9.74058 9.87158 6.35756 7.71984 9.22598 4.81926 6.62496 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 8.37546 4.67517 8.01308 9.74058 5.86526 6.35756 9.89708 11.5155 5.35073 6.86465 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 8.37546 4.67517 8.01308 9.74058 5.86526 6.35756 7.71984 9.55996 4.81926 6.62496 numMergedOcc 0
8 mol 58 unq 6 iso 0 dist 9.76234 12.5529 9.22598 12.818 9.87158 6.62496 13.5425 13.3281 5.30792 6.86465 numMergedOcc 0
9 mol 58 unq 7 iso 0 dist 9.76234 12.5529 9.22598 12.818 9.87158 6.62496 8.47822 8.96727 4.81926 6.35756 numMergedOcc 0
10 mol 58 unq 8 iso 0 dist 9.76234 8.47822 8.96727 12.818 9.87158 6.35756 13.5425 13.3281 5.35073 6.86465 numMergedOcc 0
11 mol 58 unq 9 iso 0 dist 9.76234 8.47822 8.96727 12.818 9.87158 6.35756 12.5529 9.22598 4.81926 6.62496 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.61144 14.8146 9.36001 9.87656 5.31547 9.64443 4.78289 10.9241 13.1316 9.33898 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 6.13521 4.78289 7.06939 9.87656 4.3481 9.33898 14.8146 12.4681 13.1316 9.64443 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 9.77082 15.821 9.3948 15.8862 11.3215 8.03644 22.5988 19.7448 16.6055 9.03572 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 9.77082 15.821 9.3948 15.8862 11.3215 8.03644 24.1089 19.9408 13.8105 8.83255 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 8.0675 9.7565 9.3948 15.5421 11.3215 8.03644 24.4415 19.7448 16.6055 9.03572 numMergedOcc 0
17 mol 95 unq 3 iso 0 dist 8.0675 9.7565 9.3948 15.5421 11.3215 8.03644 22.951 19.9408 13.8105 8.83255 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 5.44426 9.04817 5.10496 4.31067 3.9764 5.08437 4.70157 5.92242 9.51923 6.48948 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 5.44426 9.04817 5.10496 4.31067 3.9764 5.08437 6.21302 5.2571 8.40073 6.10456 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 5.44426 4.70157 5.92242 4.31067 3.9764 6.48948 9.04817 5.10496 9.51923 5.08437 numMergedOcc 0
21 mol 98 unq 3 iso 0 dist 5.44426 4.70157 5.92242 4.31067 3.9764 6.48948 6.21302 5.2571 9.42358 6.10456 numMergedOcc 0
22 mol 98 unq 4 iso 0 dist 5.44426 6.21302 5.2571 4.31067 3.9764 6.10456 9.04817 5.10496 8.40073 5.08437 numMergedOcc 0
23 mol 98 unq 5 iso 0 dist 5.44426 6.21302 5.2571 4.31067 3.9764 6.10456 4.70157 5.92242 9.42358 6.48948 numMergedOcc 0
24 mol 98 unq 6 iso 0 dist 7.63284 4.70157 7.02507 4.31067 7.03983 6.48948 9.04817 9.89095 9.51923 5.08437 numMergedOcc 0
25 mol 98 unq 7 iso 0 dist 7.63284 4.70157 7.02507 4.31067 7.03983 6.48948 6.21302 12.7417 9.42358 6.10456 numMergedOcc 0
26 mol 98 unq 8 iso 0 dist 8.65429 9.9123 7.54889 15.6411 10.4782 6.10456 16.6744 9.81956 8.40073 5.08437 numMergedOcc 0
27 mol 98 unq 9 iso 0 dist 8.65429 9.9123 7.54889 15.6411 10.4782 6.10456 16.284 10.8223 9.42358 6.48948 numMergedOcc 0
28 mol 100 unq 0 iso 0 dist 8.29463 5.06206 5.35782 10.4409 5.47563 7.47343 9.03846 9.94341 8.8807 6.65086 numMergedOcc 0
29 mol 100 unq 1 iso 0 dist 8.29463 5.06206 5.35782 10.4409 5.47563 7.47343 13.456 9.82522 12.6515 6.56369 numMergedOcc 0
30 mol 100 unq 2 iso 0 dist 8.29463 5.06206 5.35782 10.4409 5.47563 7.47343 13.8079 13.4844 13.887 9.30209 numMergedOcc 0
31 mol 109 unq 0 iso 0 dist 5.93561 5.15479 6.29161 10.5366 6.73011 7.34473 9.88135 11.0751 7 8.58044 numMergedOcc 0
32 mol 109 unq 1 iso 0 dist 5.93561 5.15479 6.29161 10.5366 6.73011 7.34473 13.2593 13.6787 8.40993 9.97763 numMergedOcc 0
33 mol 109 unq 2 iso 0 dist 5.33967 5.15479 7.86666 10.5366 13.0886 7.34473 9.88135 14.3511 7 8.58044 numMergedOcc 0
34 mol 109 unq 3 iso 0 dist 5.33967 5.15479 7.86666 10.5366 13.0886 7.34473 13.2593 15.7916 8.40993 9.97763 numMergedOcc 0
35 mol 115 unq 0 iso 0 dist 6.17349 6.86762 7.69765 5.11612 4.48636 5.83991 10.3475 13.4105 7.69052 9.33865 numMergedOcc 0
36 mol 115 unq 1 iso 0 dist 6.17349 6.86762 7.69765 11.7895 11.835 7.88312 10.3475 13.4105 7.69052 6.11741 numMergedOcc 0
37 mol 115 unq 2 iso 0 dist 9.21978 10.3475 6.39384 5.11612 6.63111 9.33865 6.86762 9.42082 7.69052 5.83991 numMergedOcc 0
38 mol 115 unq 3 iso 0 dist 9.21978 10.3475 6.39384 11.7895 6.07067 6.11741 6.86762 9.42082 7.69052 7.88312 numMergedOcc 0
39 mol 115 unq 4 iso 0 dist 9.21978 6.86762 9.42082 5.11612 6.63111 5.83991 10.3475 6.39384 7.69052 9.33865 numMergedOcc 0
40 mol 115 unq 5 iso 0 dist 9.21978 6.86762 9.42082 11.7895 6.07067 7.88312 10.3475 6.39384 7.69052 6.11741 numMergedOcc 0
41 mol 115 unq 6 iso 0 dist 9.26505 10.0419 6.24825 5.22628 6.95773 9.33865 6.8104 10.0255 8.02349 6.11741 numMergedOcc 0
42 mol 115 unq 7 iso 0 dist 9.26505 10.0419 6.24825 11.2519 6.01673 5.83991 17.2604 13.22 10.8507 7.30858 numMergedOcc 0
43 mol 115 unq 8 iso 0 dist 9.26505 10.0419 6.24825 11.2519 6.01673 5.83991 6.8104 10.0255 8.02349 7.88312 numMergedOcc 0
44 mol 117 unq 0 iso 0 dist 5.20001 5.17524 6.10127 12.6233 10.5783 7.90328 10.7342 11.6387 7.22206 7.83136 numMergedOcc 0
45 mol 117 unq 1 iso 0 dist 5.20001 5.17524 6.10127 12.6233 10.5783 7.90328 14.3217 14.762 9.3584 7.0603 numMergedOcc 0
46 mol 129 unq 0 iso 0 dist 8.4375 5.57978 6.69691 7.00798 8.26896 8.54584 6.05033 10.5979 4.61027 8.53613 numMergedOcc 0
47 mol 129 unq 1 iso 0 dist 8.62413 5.57978 5.51197 7.00798 12.1739 8.54584 6.05033 9.97604 4.61027 8.53613 numMergedOcc 0
48 mol 129 unq 2 iso 0 dist 6.93102 5.57978 8.86944 7.00798 5.63254 8.54584 6.05033 11.1246 4.61027 8.53613 numMergedOcc 0
49 mol 133 unq 0 iso 0 dist 7.33743 6.80087 8.77023 8.94909 15.0115 8.00618 8.76089 12.5855 8.18495 7.11802 numMergedOcc 0
50 mol 134 unq 0 iso 0 dist 9.8564 12.0294 9.33094 15.0247 7.41373 8.94367 14.9183 8.69531 6.81259 9.86662 numMergedOcc 0
51 mol 134 unq 1 iso 0 dist 9.8564 12.0294 9.33094 16.0887 10.8635 6.37586 14.9183 8.69531 6.81259 9.71307 numMergedOcc 0
52 mol 134 unq 2 iso 0 dist 9.8564 12.0294 9.33094 14.18 12.3479 6.49416 9.57893 11.2896 5.00526 6.54501 numMergedOcc 0
53 mol 134 unq 3 iso 0 dist 9.8564 14.9183 8.69531 15.0247 7.41373 9.86662 12.0294 9.33094 6.81259 8.94367 numMergedOcc 0
54 mol 134 unq 4 iso 0 dist 9.8564 14.9183 8.69531 16.0887 10.8635 9.71307 12.0294 9.33094 6.81259 6.37586 numMergedOcc 0
55 mol 178 unq 0 iso 0 dist 5.4647 6.96904 7.06025 7.14849 6.42973 6.69288 7.57303 10.0638 5.34677 6.43573 numMergedOcc 0
56 mol 178 unq 1 iso 0 dist 5.4647 6.96904 7.06025 7.14849 6.42973 6.69288 14.0459 13.2692 11.7381 7.17202 numMergedOcc 0
57 mol 178 unq 2 iso 0 dist 5.4647 6.96904 7.06025 7.14849 6.42973 6.69288 14.3001 15.0672 14.0703 8.81551 numMergedOcc 0
58 mol 222 unq 0 iso 0 dist 8.79662 13.3218 7.48954 16.3367 9.53117 7.21333 20.6401 16.3082 13.3522 8.01589 numMergedOcc 0
59 mol 222 unq 1 iso 0 dist 8.79662 13.3218 7.48954 16.3367 9.53117 7.21333 16.0359 11.839 5.24516 7.7699 numMergedOcc 0
