0 mol 24 unq 0 iso 0 dist 6.60423 5.86882 5.47982 8.66248 9.41655 11.6836 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.60423 5.86882 5.47982 6.73521 6.803 8.02322 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 7.83786 4.56797 5.47982 10.0118 9.41655 11.6836 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 7.83786 4.56797 5.47982 6.07594 6.803 8.02322 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 4.93188 7.6222 4.87192 13.5399 9.65174 7.19357 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 9.24958 11.7026 4.87192 15.0923 9.65174 7.19357 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 8.7817 14.3077 7.57624 12.6119 7.78893 7.63516 numMergedOcc 0
7 mol 30 unq 1 iso 0 dist 8.7817 14.3077 7.57624 11.8413 5.85146 3.68767 numMergedOcc 0
8 mol 30 unq 2 iso 0 dist 7.55415 10.3139 7.57624 10.5615 7.78893 7.63516 numMergedOcc 0
9 mol 30 unq 3 iso 0 dist 7.55415 10.3139 7.57624 7.87211 5.85146 3.68767 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 8.00777 6.62562 6.00564 5.76272 5.72961 7.59896 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 7.1589 5.46695 6.00564 8.18948 5.72961 7.59896 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.65802 5.44942 9.93806 10.3949 7.87729 8.53624 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 8.67766 9.44195 7.04752 10.8085 9.67274 8.20377 numMergedOcc 0
14 mol 109 unq 1 iso 0 dist 8.0831 4.26194 7.04752 10.1337 9.67274 8.20377 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 7.99857 4.55137 8.81779 10.4816 7.62197 13.139 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 8.56342 6.42493 8.81779 13.2169 7.62197 13.139 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 7.88319 12.9396 9.38045 6.60451 8.06621 10.2577 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 6.20182 5.05715 6.00293 4.51281 9.56342 5.77936 numMergedOcc 0
19 mol 163 unq 0 iso 0 dist 8.38738 10.1139 7.27002 4.2768 9.40912 7.82355 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 8.0154 13.4456 6.59925 13.8965 7.6741 3.46183 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 7.28841 6.67453 7.9637 4.02821 7.88501 5.18849 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 7.28841 6.67453 7.9637 10.619 9.09585 10.0163 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 8.44861 12.2848 6.61806 9.96193 5.19567 5.73483 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 8.44861 9.73907 7.85966 9.96193 5.19567 12.2139 numMergedOcc 0
25 mol 205 unq 2 iso 0 dist 5.60393 9.41884 6.61806 4.30308 5.19567 5.73483 numMergedOcc 0
26 mol 205 unq 3 iso 0 dist 5.60393 12.3578 7.85966 4.30308 5.19567 12.2139 numMergedOcc 0
27 mol 218 unq 0 iso 0 dist 8.0751 7.79008 6.45821 6.24608 5.4621 3.33782 numMergedOcc 0
28 mol 218 unq 1 iso 0 dist 8.0751 7.79008 6.45821 12.235 8.91819 9.06704 numMergedOcc 0
29 mol 230 unq 0 iso 0 dist 9.09271 15.5042 7.74885 12.9537 7.83105 9.09582 numMergedOcc 0
30 mol 230 unq 1 iso 0 dist 9.09271 15.5042 7.74885 12.3005 5.63025 3.83847 numMergedOcc 0
31 mol 230 unq 2 iso 0 dist 7.44838 11.3478 7.74885 10.9745 7.83105 9.09582 numMergedOcc 0
32 mol 230 unq 3 iso 0 dist 7.44838 11.3478 7.74885 8.05169 5.63025 3.83847 numMergedOcc 0
33 mol 230 unq 4 iso 0 dist 6.41286 10.3804 7.81987 10.043 6.31092 3.28958 numMergedOcc 0
34 mol 252 unq 0 iso 0 dist 8.47784 7.15243 6.77555 17.5547 9.76731 15.1194 numMergedOcc 0
35 mol 252 unq 1 iso 0 dist 8.47784 7.15243 6.77555 14.3189 8.38599 10.8739 numMergedOcc 0
36 mol 252 unq 2 iso 0 dist 6.86945 3.6688 8.62955 9.93981 8.38453 13.3681 numMergedOcc 0
37 mol 252 unq 3 iso 0 dist 8.66469 7.18984 6.77555 11.5735 9.76731 15.1194 numMergedOcc 0
38 mol 252 unq 4 iso 0 dist 8.66469 7.18984 6.77555 6.19934 8.38599 10.8739 numMergedOcc 0
39 mol 282 unq 0 iso 0 dist 5.23193 7.35437 7.44686 12.1291 9.9322 6.07125 numMergedOcc 0
40 mol 282 unq 1 iso 0 dist 5.23193 11.0422 9.82855 12.1291 9.9322 4.55093 numMergedOcc 0
41 mol 282 unq 2 iso 0 dist 5.23193 10.3109 8.62579 12.1291 9.9322 3.11193 numMergedOcc 0
