0 mol 24 unq 0 iso 0 dist 6.40189 10.212 8.87744 10.6956 6.28159 7.36323 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.22014 10.212 7.27472 10.6956 5.50396 7.36323 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.26412 8.64255 7.6114 13.0003 6.10919 7.31767 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.26412 8.64255 7.6114 11.2263 5.86705 6.03987 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 6.12374 6.12182 7.26639 8.19077 4.40004 7.50293 numMergedOcc 0
5 mol 38 unq 1 iso 0 dist 6.12374 6.12182 7.26639 13.1327 8.68364 9.91611 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.86485 7.71984 9.22598 9.74058 9.87158 6.62496 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 6.86485 4.67517 8.96727 9.74058 9.87158 6.35756 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 8.37546 4.67517 8.01308 9.74058 5.86526 6.35756 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 9.76234 12.5529 9.22598 12.818 9.87158 6.62496 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 9.76234 8.47822 8.96727 12.818 9.87158 6.35756 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 9.61144 14.8146 9.36001 9.87656 5.31547 9.64443 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 6.13521 4.78289 7.06939 9.87656 4.3481 9.33898 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 9.77082 15.821 9.3948 9.17862 3.94537 7.27724 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 9.77082 15.821 9.3948 15.8862 11.3215 8.03644 numMergedOcc 0
15 mol 95 unq 2 iso 0 dist 8.0675 9.7565 9.3948 8.27456 3.94537 7.27724 numMergedOcc 0
16 mol 95 unq 3 iso 0 dist 8.0675 9.7565 9.3948 15.5421 11.3215 8.03644 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 5.44426 9.04817 5.10496 4.31067 3.9764 5.08437 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.44426 4.70157 5.92242 4.31067 3.9764 6.48948 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 5.44426 6.21302 5.2571 4.31067 3.9764 6.10456 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 7.63284 4.70157 7.02507 4.31067 7.03983 6.48948 numMergedOcc 0
21 mol 98 unq 4 iso 0 dist 8.65429 9.9123 7.54889 15.6411 10.4782 6.10456 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 8.29463 5.06206 5.35782 11.2501 6.30222 6.45675 numMergedOcc 0
23 mol 100 unq 1 iso 0 dist 8.29463 5.06206 5.35782 10.4409 5.47563 7.47343 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 8.29463 5.06206 5.35782 11.3142 5.03232 8.86688 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 5.93561 5.15479 6.29161 10.5366 6.73011 7.34473 numMergedOcc 0
26 mol 109 unq 1 iso 0 dist 5.33967 5.15479 7.86666 10.5366 13.0886 7.34473 numMergedOcc 0
27 mol 115 unq 0 iso 0 dist 6.17349 6.86762 7.69765 12.9567 10.3209 7.30858 numMergedOcc 0
28 mol 115 unq 1 iso 0 dist 6.17349 6.86762 7.69765 5.11612 4.48636 5.83991 numMergedOcc 0
29 mol 115 unq 2 iso 0 dist 6.17349 6.86762 7.69765 11.7895 11.835 7.88312 numMergedOcc 0
30 mol 115 unq 3 iso 0 dist 9.21978 10.3475 6.39384 5.11612 6.63111 9.33865 numMergedOcc 0
31 mol 115 unq 4 iso 0 dist 9.21978 10.3475 6.39384 11.7895 6.07067 6.11741 numMergedOcc 0
32 mol 115 unq 5 iso 0 dist 9.21978 6.86762 9.42082 12.9567 15.3161 7.30858 numMergedOcc 0
33 mol 115 unq 6 iso 0 dist 9.21978 6.86762 9.42082 5.11612 6.63111 5.83991 numMergedOcc 0
34 mol 115 unq 7 iso 0 dist 9.21978 6.86762 9.42082 11.7895 6.07067 7.88312 numMergedOcc 0
35 mol 115 unq 8 iso 0 dist 9.26505 10.0419 6.24825 5.22628 6.95773 9.33865 numMergedOcc 0
36 mol 115 unq 9 iso 0 dist 9.26505 10.0419 6.24825 11.2519 6.01673 5.83991 numMergedOcc 0
37 mol 117 unq 0 iso 0 dist 5.20001 5.17524 6.10127 9.60425 6.57678 9.84395 numMergedOcc 0
38 mol 117 unq 1 iso 0 dist 5.20001 5.17524 6.10127 12.6233 10.5783 7.90328 numMergedOcc 0
39 mol 129 unq 0 iso 0 dist 8.4375 5.57978 6.69691 7.00798 8.26896 8.54584 numMergedOcc 0
40 mol 129 unq 1 iso 0 dist 8.62413 5.57978 5.51197 7.00798 12.1739 8.54584 numMergedOcc 0
41 mol 129 unq 2 iso 0 dist 6.93102 5.57978 8.86944 7.00798 5.63254 8.54584 numMergedOcc 0
42 mol 133 unq 0 iso 0 dist 7.33743 6.80087 8.77023 12.8006 13.0405 6.29155 numMergedOcc 0
43 mol 133 unq 1 iso 0 dist 7.33743 6.80087 8.77023 9.73536 13.7612 6.80239 numMergedOcc 0
44 mol 133 unq 2 iso 0 dist 7.33743 6.80087 8.77023 8.94909 15.0115 8.00618 numMergedOcc 0
45 mol 134 unq 0 iso 0 dist 9.8564 12.0294 9.33094 15.0247 7.41373 8.94367 numMergedOcc 0
46 mol 134 unq 1 iso 0 dist 9.8564 12.0294 9.33094 16.0887 10.8635 6.37586 numMergedOcc 0
47 mol 134 unq 2 iso 0 dist 9.8564 12.0294 9.33094 14.18 12.3479 6.49416 numMergedOcc 0
48 mol 134 unq 3 iso 0 dist 9.8564 14.9183 8.69531 15.0247 7.41373 9.86662 numMergedOcc 0
49 mol 134 unq 4 iso 0 dist 9.8564 14.9183 8.69531 16.0887 10.8635 9.71307 numMergedOcc 0
50 mol 178 unq 0 iso 0 dist 5.4647 6.96904 7.06025 7.14849 6.42973 6.69288 numMergedOcc 0
51 mol 181 unq 0 iso 0 dist 7.83476 5.49497 6.64173 12.074 6.8757 7.81386 numMergedOcc 0
52 mol 181 unq 1 iso 0 dist 7.83476 5.49497 6.64173 9.72791 10.6474 7.63312 numMergedOcc 0
53 mol 222 unq 0 iso 0 dist 8.79662 13.3218 7.48954 16.3367 9.53117 7.21333 numMergedOcc 0
54 mol 243 unq 0 iso 0 dist 8.8602 9.51148 8.69318 8.69557 5.71505 8.23192 numMergedOcc 0
55 mol 243 unq 1 iso 0 dist 7.13476 11.3833 8.69318 11.3986 5.71505 8.23192 numMergedOcc 0
56 mol 243 unq 2 iso 0 dist 9.49016 6.50608 8.69318 4.89168 5.71505 8.23192 numMergedOcc 0
57 mol 276 unq 0 iso 0 dist 8.53037 6.23528 8.6759 14.4138 9.39944 9.8993 numMergedOcc 0
58 mol 276 unq 1 iso 0 dist 8.53037 6.23528 8.6759 11.4412 8.26321 6.87396 numMergedOcc 0
