0 mol 13 unq 0 iso 0 dist 8.75871 7.04754 8.47514 9.78361 7.39086 5.43688 numMergedOcc 0
1 mol 13 unq 0 iso 1 dist 8.75871 9.78361 7.39086 7.04754 8.47514 5.43688 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.07389 5.84171 9.07906 9.30759 8.75567 10.6953 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.07389 9.30759 8.75567 5.84171 9.07906 10.6953 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 5.94787 10.1192 9.854 5.28824 8.23749 5.80772 numMergedOcc 0
5 mol 62 unq 0 iso 1 dist 5.94787 5.28824 8.23749 10.1192 9.854 5.80772 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.82214 9.53239 8.77199 13.0232 8.81824 5.42586 numMergedOcc 0
7 mol 85 unq 0 iso 1 dist 7.82214 13.0232 8.81824 9.53239 8.77199 5.42586 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 5.52502 4.99775 6.60331 9.98015 9.22311 7.67212 numMergedOcc 0
9 mol 110 unq 0 iso 1 dist 5.52502 9.98015 9.22311 4.99775 6.60331 7.67212 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 5.27549 7.36905 8.5457 6.1358 6.7928 5.20645 numMergedOcc 0
11 mol 120 unq 0 iso 1 dist 5.27549 6.1358 6.7928 7.36905 8.5457 5.20645 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 5.27549 7.36905 8.5457 8.18801 7.59189 10.3759 numMergedOcc 0
13 mol 120 unq 1 iso 1 dist 5.27549 8.18801 7.59189 7.36905 8.5457 10.3759 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 5.27549 6.1358 6.7928 8.18801 7.59189 5.23943 numMergedOcc 0
15 mol 120 unq 1 iso 1 dist 5.27549 8.18801 7.59189 6.1358 6.7928 5.23943 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 9.38764 5.84594 7.46793 5.0826 9.50837 4.48524 numMergedOcc 0
17 mol 127 unq 0 iso 1 dist 9.38764 5.0826 9.50837 5.84594 7.46793 4.48524 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 6.09084 5.01665 9.3169 4.9475 5.5639 5.72828 numMergedOcc 0
19 mol 143 unq 0 iso 1 dist 6.09084 4.9475 5.5639 5.01665 9.3169 5.72828 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 7.71402 12.6052 6.85239 12.4033 5.72735 4.70068 numMergedOcc 0
21 mol 167 unq 0 iso 1 dist 7.71402 12.4033 5.72735 12.6052 6.85239 4.70068 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.13982 4.70216 9.37545 6.13422 6.02579 6.83796 numMergedOcc 0
23 mol 186 unq 0 iso 1 dist 8.13982 6.13422 6.02579 4.70216 9.37545 6.83796 numMergedOcc 0
24 mol 206 unq 0 iso 0 dist 9.1579 15.3449 9.62822 13.5094 7.03546 7.08941 numMergedOcc 0
25 mol 206 unq 0 iso 1 dist 9.1579 13.5094 7.03546 15.3449 9.62822 7.08941 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 6.53528 6.05616 9.04091 4.64011 9.3624 5.84541 numMergedOcc 0
27 mol 236 unq 0 iso 1 dist 6.53528 4.64011 9.3624 6.05616 9.04091 5.84541 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 6.27395 10.7661 8.13183 11.3436 6.78929 5.55477 numMergedOcc 0
29 mol 258 unq 0 iso 1 dist 6.27395 11.3436 6.78929 10.7661 8.13183 5.55477 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 6.02774 7.8112 7.97266 13.2558 8.89057 8.42646 numMergedOcc 0
31 mol 285 unq 0 iso 1 dist 6.02774 13.2558 8.89057 7.8112 7.97266 8.42646 numMergedOcc 0
