0 mol 24 unq 0 iso 0 dist 6.40189 10.212 8.87744 5.22014 3.73215 7.27472 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.22014 10.212 7.27472 6.40189 3.73215 8.87744 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.93454 10.6266 7.18022 9.06898 3.39994 6.24711 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 9.06898 10.6266 6.24711 7.93454 3.39994 7.18022 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.86485 4.67517 8.96727 8.37546 6.20884 8.01308 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 8.37546 4.67517 8.01308 6.86485 6.20884 8.96727 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 9.76234 8.47822 8.96727 10.1165 6.20884 8.01308 numMergedOcc 0
7 mol 89 unq 0 iso 0 dist 9.55954 6.529 6.53308 7.06277 7.04263 7.47974 numMergedOcc 0
8 mol 89 unq 1 iso 0 dist 7.06277 6.529 7.47974 9.55954 7.04263 6.53308 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 9.77082 15.821 9.3948 12.6856 8.00584 9.74607 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 8.0675 9.7565 9.3948 14.3138 8.00584 9.74607 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.44426 4.70157 5.92242 7.63284 9.6331 7.02507 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.44426 6.21302 5.2571 10.877 6.70343 7.54889 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 5.44426 11.2075 8.7497 10.877 6.70343 7.78931 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 7.63284 4.70157 7.02507 5.44426 9.6331 5.92242 numMergedOcc 0
15 mol 98 unq 4 iso 0 dist 8.65429 9.9123 7.54889 13.0419 6.70343 5.2571 numMergedOcc 0
16 mol 98 unq 5 iso 0 dist 8.65429 8.49566 7.78931 13.0419 6.70343 8.7497 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 8.29463 5.06206 5.35782 11.6594 3.5565 7.82475 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 5.93561 5.15479 6.29161 5.33967 7.49425 7.86666 numMergedOcc 0
19 mol 109 unq 1 iso 0 dist 5.33967 5.15479 7.86666 5.93561 7.49425 6.29161 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 6.17349 6.86762 7.69765 9.21978 11.044 9.42082 numMergedOcc 0
21 mol 115 unq 1 iso 0 dist 9.21978 6.86762 9.42082 6.17349 11.044 7.69765 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 8.4375 5.57978 6.69691 8.62413 5.94312 5.51197 numMergedOcc 0
23 mol 129 unq 1 iso 0 dist 8.4375 5.57978 6.69691 6.93102 5.35495 8.86944 numMergedOcc 0
24 mol 129 unq 2 iso 0 dist 8.62413 5.57978 5.51197 8.4375 5.94312 6.69691 numMergedOcc 0
25 mol 129 unq 3 iso 0 dist 8.62413 5.57978 5.51197 6.93102 9.74141 8.86944 numMergedOcc 0
26 mol 129 unq 4 iso 0 dist 6.93102 5.57978 8.86944 8.62413 9.74141 5.51197 numMergedOcc 0
27 mol 129 unq 5 iso 0 dist 6.93102 5.57978 8.86944 8.4375 5.35495 6.69691 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 9.8564 14.9183 8.69531 8.91647 5.83782 9.1998 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 7.83476 5.49497 6.64173 13.3652 11.196 9.01624 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 7.83476 5.49497 6.64173 12.7598 10.1041 9.55105 numMergedOcc 0
31 mol 184 unq 0 iso 0 dist 8.0343 6.40529 9.90822 11.5471 9.88527 6.73504 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 8.28282 11.3614 7.2793 10.9209 3.47886 9.51091 numMergedOcc 0
33 mol 186 unq 1 iso 0 dist 8.28282 11.3614 7.2793 17.6973 12.5618 7.85184 numMergedOcc 0
34 mol 186 unq 2 iso 0 dist 7.81696 7.37734 7.85184 11.3685 12.5618 7.2793 numMergedOcc 0
35 mol 186 unq 3 iso 0 dist 7.81696 7.37734 7.85184 14.4839 14.2448 9.51091 numMergedOcc 0
36 mol 197 unq 0 iso 0 dist 9.67667 9.73282 9.10817 19.3791 16.8666 9.73548 numMergedOcc 0
37 mol 222 unq 0 iso 0 dist 8.79662 13.3218 7.48954 12.091 3.58181 5.56538 numMergedOcc 0
38 mol 225 unq 0 iso 0 dist 7.9002 6.7444 6.50998 12.539 8.05944 9.09424 numMergedOcc 0
39 mol 225 unq 1 iso 0 dist 7.9002 6.7444 6.50998 13.4564 13.7858 8.14831 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 9.42801 15.4299 8.19317 14.1068 4.8835 6.29377 numMergedOcc 0
41 mol 235 unq 1 iso 0 dist 9.42801 10.8094 5.1823 14.1068 4.8835 5.70635 numMergedOcc 0
42 mol 251 unq 0 iso 0 dist 7.96982 4.34197 7.39775 8.99048 3.63976 6.50357 numMergedOcc 0
43 mol 251 unq 1 iso 0 dist 8.99048 4.34197 6.50357 7.96982 3.63976 7.39775 numMergedOcc 0
44 mol 292 unq 0 iso 0 dist 9.13412 14.0055 9.46442 10.5082 3.57128 7.30758 numMergedOcc 0
45 mol 292 unq 1 iso 0 dist 9.13412 14.0055 9.46442 19.8921 11.3907 9.5785 numMergedOcc 0
46 mol 292 unq 2 iso 0 dist 9.13412 14.0055 9.46442 20.5437 13.609 9.76319 numMergedOcc 0
