0 mol 7 unq 0 iso 0 dist 9.20552 9.81211 5.51421 8.16305 7.78327 3.52338 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.49709 7.4835 5.95165 4.4067 8.68293 10.5071 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 6.49709 7.4835 5.95165 13.2938 6.84216 9.80646 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.06275 6.41579 8.38387 7.62357 9.02471 4.15592 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.90024 14.9559 8.38387 16.9091 9.02471 4.15592 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.96446 5.27016 8.4545 12.0126 5.42067 8.46944 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 6.70686 5.27016 7.01176 12.0126 7.36435 8.46944 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 9.83528 13.0144 5.9747 11.4714 7.92856 4.48773 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 9.83528 10.11 4.50572 11.4714 7.92856 3.8493 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 7.54969 12.9828 5.9747 12.9689 7.92856 4.48773 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 7.54969 9.82501 4.50572 12.9689 7.92856 3.8493 numMergedOcc 0
11 mol 110 unq 0 iso 0 dist 7.77678 4.9839 9.73174 10.0513 9.10911 6.88119 numMergedOcc 0
12 mol 110 unq 1 iso 0 dist 7.77678 4.36119 9.65418 10.0513 9.10911 9.95216 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 5.06555 8.75149 7.04864 8.14689 6.42623 4.74539 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 5.06555 8.75149 7.04864 5.74365 8.95899 11.4443 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 8.47907 5.08302 9.40018 12.1473 4.42563 12.9961 numMergedOcc 0
16 mol 122 unq 1 iso 0 dist 8.47907 11.2519 6.78949 12.1473 4.42563 6.80573 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 8.34839 6.11789 8.07256 14.1262 9.00072 12.8334 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 6.44195 5.32921 9.93555 5.71332 8.89394 3.47453 numMergedOcc 0
19 mol 163 unq 0 iso 0 dist 7.75045 4.49316 9.63873 11.5774 9.90947 14.9742 numMergedOcc 0
20 mol 163 unq 1 iso 0 dist 7.75045 4.49316 9.63873 10.9436 8.16252 13.5948 numMergedOcc 0
21 mol 167 unq 0 iso 0 dist 6.53913 4.88159 5.59806 5.60897 5.36671 5.09728 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 6.09874 14.0799 9.58911 14.1844 9.70481 3.55808 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 6.0639 4.40927 7.80299 4.59453 9.65093 5.18174 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 7.39185 5.39526 7.63036 4.22848 6.59544 8.15115 numMergedOcc 0
25 mol 195 unq 1 iso 0 dist 4.78641 8.94388 7.63036 4.65343 6.59544 8.15115 numMergedOcc 0
26 mol 196 unq 0 iso 0 dist 9.23836 13.7266 6.25429 6.17727 4.67869 7.96489 numMergedOcc 0
27 mol 197 unq 0 iso 0 dist 6.18446 10.0696 8.3337 9.33865 9.23086 3.70636 numMergedOcc 0
28 mol 197 unq 1 iso 0 dist 9.7541 4.44269 5.41292 4.37387 8.37086 3.70636 numMergedOcc 0
29 mol 206 unq 0 iso 0 dist 5.82039 8.60571 9.78438 12.4707 9.4629 10.3421 numMergedOcc 0
30 mol 214 unq 0 iso 0 dist 7.94344 5.58634 4.84709 10.313 9.06459 6.62122 numMergedOcc 0
31 mol 218 unq 0 iso 0 dist 9.79816 16.0359 7.73315 5.27483 7.84952 14.9642 numMergedOcc 0
32 mol 235 unq 0 iso 0 dist 7.8128 12.3178 9.11256 9.83176 8.08965 3.76405 numMergedOcc 0
33 mol 235 unq 1 iso 0 dist 7.8128 4.27313 7.08539 9.83176 8.08965 12.0808 numMergedOcc 0
34 mol 237 unq 0 iso 0 dist 9.59483 13.1097 8.56463 18.1875 9.14911 8.84619 numMergedOcc 0
35 mol 237 unq 1 iso 0 dist 9.59483 18.3553 9.42743 18.1875 9.14911 9.06943 numMergedOcc 0
36 mol 237 unq 2 iso 0 dist 8.42717 11.2515 8.56463 4.38713 9.14911 8.84619 numMergedOcc 0
37 mol 237 unq 3 iso 0 dist 8.42717 6.24855 9.42743 4.38713 9.14911 9.06943 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 8.82778 12.0443 6.44212 10.7268 4.43499 3.71488 numMergedOcc 0
39 mol 277 unq 0 iso 0 dist 8.53324 7.47195 8.96343 9.7252 7.42932 7.9169 numMergedOcc 0
40 mol 277 unq 1 iso 0 dist 7.23956 12.7088 9.29635 9.7252 4.9764 7.31817 numMergedOcc 0
41 mol 277 unq 2 iso 0 dist 7.23956 12.7088 9.29635 10.5201 6.36559 3.91224 numMergedOcc 0
42 mol 277 unq 3 iso 0 dist 8.66941 5.65499 8.96343 10.3675 7.42932 7.9169 numMergedOcc 0
43 mol 287 unq 0 iso 0 dist 7.95849 8.55612 9.53313 7.22067 9.76232 6.09704 numMergedOcc 0
44 mol 287 unq 1 iso 0 dist 7.95849 4.91435 7.26542 7.22067 9.76232 5.42266 numMergedOcc 0
45 mol 288 unq 0 iso 0 dist 7.95849 8.55612 9.53313 7.22067 9.76232 6.09704 numMergedOcc 0
46 mol 288 unq 1 iso 0 dist 7.95849 4.91435 7.26542 7.22067 9.76232 5.42266 numMergedOcc 0
47 mol 289 unq 0 iso 0 dist 7.95849 8.55612 9.53313 7.22067 9.76232 6.09704 numMergedOcc 0
48 mol 289 unq 1 iso 0 dist 7.95849 4.91435 7.26542 7.22067 9.76232 5.42266 numMergedOcc 0
