0 mol 17 unq 0 iso 0 dist 9.54285 6.67987 9.5937 9.54397 8.6745 3.79709 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.54285 9.81441 7.34681 9.54397 8.6745 11.8805 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 5.75102 12.2856 8.92529 6.52737 7.50921 7.78799 numMergedOcc 0
3 mol 71 unq 1 iso 0 dist 8.80254 14.1584 8.92529 10.212 7.50921 7.78799 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 5.68879 5.49967 5.2184 7.43502 8.93181 3.84072 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 7.48833 14.3839 9.52061 5.22333 8.57774 11.7456 numMergedOcc 0
6 mol 132 unq 0 iso 0 dist 7.14447 9.07803 9.39389 3.48657 8.62632 7.69707 numMergedOcc 0
7 mol 158 unq 0 iso 0 dist 8.34722 10.6035 9.96635 5.87558 9.53944 5.47558 numMergedOcc 0
8 mol 168 unq 0 iso 0 dist 9.58783 11.4343 9.11481 9.99446 7.337 4.66376 numMergedOcc 0
9 mol 168 unq 1 iso 0 dist 6.89643 5.8891 7.41092 9.58629 9.08906 4.66376 numMergedOcc 0
10 mol 187 unq 0 iso 0 dist 5.26804 6.31943 5.58167 6.24375 5.7938 8.06583 numMergedOcc 0
11 mol 187 unq 1 iso 0 dist 5.26804 8.33762 8.0501 6.24375 5.7938 3.94358 numMergedOcc 0
12 mol 198 unq 0 iso 0 dist 8.74957 4.61344 9.87574 5.8901 7.7619 4.58443 numMergedOcc 0
13 mol 198 unq 1 iso 0 dist 7.91967 9.72265 9.87574 5.9839 7.7619 4.58443 numMergedOcc 0
14 mol 198 unq 2 iso 0 dist 7.83611 17.1351 9.87574 15.4093 7.7619 4.58443 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 7.72756 7.85975 9.38188 6.01994 6.63935 6.37117 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 7.5696 9.55695 6.20044 9.19007 5.81438 7.35194 numMergedOcc 0
17 mol 204 unq 2 iso 0 dist 7.5696 7.67211 8.41232 9.19007 5.81438 5.87202 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 5.2376 7.16053 6.80214 6.58216 6.16832 3.95204 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 7.6174 5.92917 8.74399 9.93335 8.31266 5.27153 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 9.49732 14.4507 8.54422 11.8307 8.40328 11.0103 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 9.49732 14.4507 8.54422 9.41512 8.2518 10.099 numMergedOcc 0
22 mol 259 unq 2 iso 0 dist 9.49732 10.4459 7.67473 11.8307 8.40328 8.71577 numMergedOcc 0
23 mol 259 unq 3 iso 0 dist 9.49732 10.4459 7.67473 9.41512 8.2518 6.47425 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 6.89455 9.33643 9.28067 7.04213 7.18295 5.62752 numMergedOcc 0
25 mol 283 unq 1 iso 0 dist 8.821 12.3485 9.243 17.4818 9.83098 13.1215 numMergedOcc 0
26 mol 283 unq 2 iso 0 dist 9.82337 9.33643 5.71075 7.04213 9.19367 5.62752 numMergedOcc 0
27 mol 283 unq 3 iso 0 dist 8.07626 6.76599 9.28067 7.88011 7.18295 5.62752 numMergedOcc 0
28 mol 283 unq 4 iso 0 dist 6.3448 6.76599 5.71075 7.88011 9.19367 5.62752 numMergedOcc 0
29 mol 285 unq 0 iso 0 dist 8.73607 8.87977 7.872 8.01729 5.49829 3.05975 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 8.73607 8.87977 7.872 9.47849 6.24134 11.5704 numMergedOcc 0
31 mol 285 unq 2 iso 0 dist 8.73607 9.91326 6.32984 8.01729 5.49829 5.76392 numMergedOcc 0
32 mol 285 unq 3 iso 0 dist 8.73607 9.91326 6.32984 9.47849 6.24134 4.4744 numMergedOcc 0
