0 mol 43 unq 0 iso 0 dist 9.93832 10.8828 7.24352 10.5523 5.64171 6.66407 17.3252 8.41793 9.50614 11.4153 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.93832 10.8828 7.24352 10.5523 5.64171 6.66407 6.6263 4.55347 8.34145 4.96926 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.60739 5.07458 7.24352 5.73819 5.64171 6.66407 13.8936 8.41793 9.50614 11.4153 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.60739 5.07458 7.24352 5.73819 5.64171 6.66407 6.75943 4.55347 8.34145 4.96926 numMergedOcc 0
4 mol 43 unq 4 iso 0 dist 8.44903 4.96926 7.15901 10.5523 7.05402 6.6263 6.66407 4.69849 8.34145 10.8828 numMergedOcc 0
5 mol 43 unq 5 iso 0 dist 8.44903 4.96926 7.15901 5.73819 5.48048 6.75943 6.66407 4.69849 8.34145 5.07458 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 6.61823 5.31547 6.98037 9.64443 7.24315 9.36001 12.8197 8.11408 9.99441 6.77937 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 9.81831 9.34182 5.71763 17.8114 9.57225 9.22631 15.9513 7.92049 7.23305 4.93402 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 9.12858 12.0103 5.71763 18.1813 9.57225 9.22631 16.9296 7.92049 7.23305 4.93402 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 9.4523 12.9351 5.71763 18.6831 9.57225 9.22631 15.7468 7.92049 7.23305 4.93402 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 7.36779 14.2036 8.48313 12.9594 6.02179 5.35237 18.1131 11.1905 5.78982 5.4761 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 7.36779 14.2036 8.48313 18.1911 10.9332 7.99477 18.1131 11.1905 5.78982 5.03507 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 7.36779 4.46337 5.11043 11.7385 9.4027 9.33094 9.66543 4.935 8.62504 8.06642 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 7.36779 4.46337 5.11043 11.3835 5.12325 8.69531 9.66543 4.935 8.62504 4.00092 numMergedOcc 0
14 mol 134 unq 4 iso 0 dist 8.20836 16.4114 8.48313 14.0375 6.02179 5.35237 19.209 11.1905 5.78982 5.4761 numMergedOcc 0
15 mol 134 unq 5 iso 0 dist 8.20836 16.4114 8.48313 17.9288 10.9332 7.99477 19.209 11.1905 5.78982 5.03507 numMergedOcc 0
16 mol 134 unq 6 iso 0 dist 8.20836 7.41373 5.11043 8.94367 9.4027 9.33094 7.21868 4.935 8.62504 8.06642 numMergedOcc 0
17 mol 134 unq 7 iso 0 dist 8.20836 7.41373 5.11043 9.86662 5.12325 8.69531 7.21868 4.935 8.62504 4.00092 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 7.25673 4.78563 8.612 5.99315 9.23795 5.37047 5.40637 6.78032 9.29944 7.39837 numMergedOcc 0
19 mol 170 unq 0 iso 0 dist 8.15099 4.78249 5.13268 12.8281 5.95519 9.08274 10.7199 8.5768 8.75024 6.86812 numMergedOcc 0
20 mol 170 unq 1 iso 0 dist 8.15099 4.78249 5.13268 9.76807 7.72147 9.51256 10.7199 8.5768 8.75024 5.7304 numMergedOcc 0
21 mol 178 unq 0 iso 0 dist 4.92088 6.42973 8.25282 6.69288 10.1489 7.06025 9.79683 7.323 7.86352 10.8974 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 8.87609 9.9875 4.98402 13.3684 4.76151 8.14831 12.2719 6.05548 6.46405 6.28241 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 8.03442 5.0317 9.43618 7.22101 10.5813 5.23634 11.595 14.9695 8.85955 4.664 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 8.03442 5.0317 9.43618 7.22101 10.5813 5.23634 9.91384 11.2819 6.09335 4.1511 numMergedOcc 0
25 mol 227 unq 2 iso 0 dist 8.03442 5.0317 9.43618 8.65997 7.22396 6.91318 11.595 14.9695 8.85955 8.49509 numMergedOcc 0
26 mol 227 unq 3 iso 0 dist 8.03442 5.0317 9.43618 8.65997 7.22396 6.91318 9.91384 11.2819 6.09335 4.69247 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 5.52379 4.48415 6.53286 11.5794 11.0349 9.12776 8.63015 8.5378 4.66186 5.71717 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 5.52379 4.48415 6.53286 12.2442 10.7551 9.72188 8.63015 8.5378 4.66186 10.4706 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 7.52281 5.71153 6.02757 10.4298 6.84156 9.19754 5.90924 7.36132 9.78237 11.4167 numMergedOcc 0
30 mol 264 unq 1 iso 0 dist 7.52281 5.71153 6.02757 9.90113 9.37297 8.29262 5.90924 7.36132 9.78237 13.2035 numMergedOcc 0
31 mol 264 unq 2 iso 0 dist 6.42588 6.56539 6.02757 12.864 6.84156 9.19754 9.58916 7.36132 9.78237 11.4167 numMergedOcc 0
32 mol 264 unq 3 iso 0 dist 6.42588 6.56539 6.02757 13.9815 9.37297 8.29262 9.58916 7.36132 9.78237 13.2035 numMergedOcc 0
33 mol 264 unq 4 iso 0 dist 6.04162 11.4167 7.14086 10.4298 4.48907 5.90924 9.19754 5.82131 9.78237 5.71153 numMergedOcc 0
34 mol 264 unq 5 iso 0 dist 6.04162 11.4167 7.14086 10.4298 4.48907 5.90924 15.803 10.0297 9.70101 5.70542 numMergedOcc 0
35 mol 264 unq 6 iso 0 dist 6.04162 11.4167 7.14086 10.4298 4.48907 5.90924 13.8802 9.58444 9.95798 6.87635 numMergedOcc 0
36 mol 264 unq 7 iso 0 dist 6.04162 11.4167 7.14086 14.2152 9.09085 5.90058 9.19754 5.82131 9.78237 12.6872 numMergedOcc 0
37 mol 264 unq 8 iso 0 dist 6.04162 11.4167 7.14086 14.2152 9.09085 5.90058 15.803 10.0297 9.70101 9.63145 numMergedOcc 0
38 mol 264 unq 9 iso 0 dist 6.04162 11.4167 7.14086 14.2152 9.09085 5.90058 13.8802 9.58444 9.95798 12.9337 numMergedOcc 0
39 mol 264 unq 10 iso 0 dist 6.04162 11.4167 7.14086 12.864 10.1591 9.58916 9.19754 5.82131 9.78237 6.56539 numMergedOcc 0
40 mol 264 unq 11 iso 0 dist 6.04162 11.4167 7.14086 12.864 10.1591 9.58916 15.803 10.0297 9.70101 10.1301 numMergedOcc 0
41 mol 264 unq 12 iso 0 dist 6.04162 11.4167 7.14086 12.864 10.1591 9.58916 13.8802 9.58444 9.95798 4.76241 numMergedOcc 0
42 mol 264 unq 13 iso 0 dist 6.14323 13.2035 7.14086 9.90113 4.48907 5.90924 8.29262 5.82131 9.78237 5.71153 numMergedOcc 0
43 mol 264 unq 14 iso 0 dist 6.14323 13.2035 7.14086 9.90113 4.48907 5.90924 14.4964 10.0297 9.70101 5.70542 numMergedOcc 0
44 mol 264 unq 15 iso 0 dist 6.14323 13.2035 7.14086 9.90113 4.48907 5.90924 13.4196 9.58444 9.95798 6.87635 numMergedOcc 0
45 mol 264 unq 16 iso 0 dist 6.14323 13.2035 7.14086 14.5869 9.09085 5.90058 8.29262 5.82131 9.78237 12.6872 numMergedOcc 0
46 mol 264 unq 17 iso 0 dist 6.14323 13.2035 7.14086 14.5869 9.09085 5.90058 14.4964 10.0297 9.70101 9.63145 numMergedOcc 0
47 mol 264 unq 18 iso 0 dist 6.14323 13.2035 7.14086 14.5869 9.09085 5.90058 13.4196 9.58444 9.95798 12.9337 numMergedOcc 0
48 mol 264 unq 19 iso 0 dist 6.14323 13.2035 7.14086 13.9815 10.1591 9.58916 8.29262 5.82131 9.78237 6.56539 numMergedOcc 0
49 mol 264 unq 20 iso 0 dist 6.14323 13.2035 7.14086 13.9815 10.1591 9.58916 14.4964 10.0297 9.70101 10.1301 numMergedOcc 0
50 mol 264 unq 21 iso 0 dist 6.14323 13.2035 7.14086 13.9815 10.1591 9.58916 13.4196 9.58444 9.95798 4.76241 numMergedOcc 0
