0 mol 20 unq 0 iso 0 dist 8.71628 6.81416 6.31611 6.98731 6.4934 8.72023 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 5.97065 8.8533 4.80984 10.1933 9.16962 5.69955 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 5.97065 8.8533 4.80984 11.9181 10.9838 8.6385 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 5.79041 6.40398 10.7491 10.9094 16.241 8.7817 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 5.79041 6.40398 10.7491 11.8694 17.3671 7.55415 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 8.06918 4.67358 11.6542 9.17087 8.33704 9.31969 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 8.06918 4.67358 11.6542 5.33532 7.92394 6.54023 numMergedOcc 0
7 mol 70 unq 2 iso 0 dist 7.52623 4.67358 11.7156 9.17087 11.6205 9.31969 numMergedOcc 0
8 mol 70 unq 3 iso 0 dist 7.52623 4.67358 11.7156 5.33532 9.93423 6.54023 numMergedOcc 0
9 mol 70 unq 4 iso 0 dist 5.62294 4.67358 4.95817 9.17087 13.4942 9.31969 numMergedOcc 0
10 mol 70 unq 5 iso 0 dist 5.62294 4.67358 4.95817 5.33532 9.34122 6.54023 numMergedOcc 0
11 mol 94 unq 0 iso 0 dist 6.64613 7.63006 5.64735 10.119 12.5865 8.16733 numMergedOcc 0
12 mol 94 unq 1 iso 0 dist 6.64613 7.63006 5.64735 6.26149 12.0145 9.97569 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 6.85365 5.9819 9.06991 4.9102 11.6045 6.43433 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 6.85365 5.9819 9.06991 6.84034 13.0457 9.92283 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 9.6785 5.36473 7.27945 9.04668 6.96442 9.7918 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 4.95674 8.37793 7.68389 13.2145 11.3058 6.76699 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 5.98435 5.8367 8.05714 11.9678 11.425 7.36779 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 5.98435 5.8367 8.05714 13.0109 11.2292 8.20836 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 8.80672 5.8367 13.6926 11.9678 20.301 7.36779 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 8.80672 5.8367 13.6926 13.0109 21.5049 8.20836 numMergedOcc 0
21 mol 189 unq 0 iso 0 dist 5.79707 9.5853 4.34089 5.56399 6.50241 8.56355 numMergedOcc 0
22 mol 195 unq 0 iso 0 dist 8.64561 8.22643 5.15519 4.98231 9.45278 6.60567 numMergedOcc 0
23 mol 195 unq 1 iso 0 dist 8.64561 8.22643 5.15519 13.577 12.4119 7.62942 numMergedOcc 0
24 mol 209 unq 0 iso 0 dist 5.20111 6.43914 9.02883 5.35615 9.52027 8.41195 numMergedOcc 0
25 mol 229 unq 0 iso 0 dist 9.81585 7.09453 13.48 9.84917 17.6932 8.92743 numMergedOcc 0
26 mol 229 unq 1 iso 0 dist 9.81585 7.09453 13.48 6.89 16.673 8.08082 numMergedOcc 0
27 mol 229 unq 2 iso 0 dist 9.81585 7.09453 13.48 9.68525 18.3525 5.77318 numMergedOcc 0
28 mol 229 unq 3 iso 0 dist 9.81585 7.09453 13.48 10.7618 16.3471 8.19603 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 6.50118 5.5826 6.48619 11.1632 12.5477 6.66971 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 6.50118 5.5826 6.48619 11.0996 9.68513 6.4398 numMergedOcc 0
31 mol 238 unq 2 iso 0 dist 6.50118 5.5826 6.48619 5.18833 9.29858 7.32982 numMergedOcc 0
32 mol 238 unq 3 iso 0 dist 9.3099 5.5826 5.8333 11.1632 9.90142 6.66971 numMergedOcc 0
33 mol 238 unq 4 iso 0 dist 9.3099 5.5826 5.8333 11.0996 5.9216 6.4398 numMergedOcc 0
34 mol 238 unq 5 iso 0 dist 9.3099 5.5826 5.8333 5.18833 10.7386 7.32982 numMergedOcc 0
35 mol 248 unq 0 iso 0 dist 8.39127 9.97871 6.53154 5.8982 8.50864 6.17052 numMergedOcc 0
36 mol 248 unq 1 iso 0 dist 8.39127 9.97871 6.53154 6.17735 11.9152 9.77666 numMergedOcc 0
37 mol 248 unq 2 iso 0 dist 7.96942 9.08064 6.53154 7.63032 8.50864 6.17052 numMergedOcc 0
38 mol 248 unq 3 iso 0 dist 7.96942 9.08064 6.53154 6.42334 11.9152 9.77666 numMergedOcc 0
39 mol 264 unq 0 iso 0 dist 5.50677 9.91954 13.2809 15.213 18.0296 7.52281 numMergedOcc 0
40 mol 264 unq 1 iso 0 dist 5.50677 9.91954 13.2809 7.50444 11.8981 6.42588 numMergedOcc 0
41 mol 264 unq 2 iso 0 dist 8.75957 9.91954 10.9186 15.213 15.1884 7.52281 numMergedOcc 0
42 mol 264 unq 3 iso 0 dist 8.75957 9.91954 10.9186 7.50444 12.2387 6.42588 numMergedOcc 0
43 mol 272 unq 0 iso 0 dist 6.27189 9.00781 6.3139 9.92738 7.67853 9.05222 numMergedOcc 0
44 mol 294 unq 0 iso 0 dist 7.86196 5.78275 8.73481 9.13951 13.4799 7.91611 numMergedOcc 0
