0 mol 24 unq 0 iso 0 dist 6.01284 5.02954 3.33439 4.82556 5.78532 5.9372 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.01284 5.02954 3.33439 6.25108 8.49709 6.93597 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 7.96195 8.56274 3.67206 9.22115 4.44526 7.8619 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 7.96195 8.56274 3.67206 9.15493 9.586 11.0098 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.38243 9.41425 4.73981 5.66783 6.81793 11.4138 numMergedOcc 0
5 mol 39 unq 0 iso 0 dist 7.99016 8.55553 5.84083 5.14532 8.20298 10.6649 numMergedOcc 0
6 mol 39 unq 1 iso 0 dist 7.99016 5.00813 6.92307 5.14532 8.20298 9.02925 numMergedOcc 0
7 mol 39 unq 2 iso 0 dist 6.41793 8.55553 5.16873 5.14532 6.13351 10.6649 numMergedOcc 0
8 mol 39 unq 3 iso 0 dist 6.41793 5.00813 7.52517 5.14532 6.13351 9.02925 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 8.04168 8.51933 12.3073 10.6438 6.5551 17.6511 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 7.0561 7.7346 3.70642 13.0818 6.87506 9.69694 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 7.8435 6.46217 13.6138 15.8624 9.19977 20.3319 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 7.8435 6.46217 13.6138 14.7862 7.28831 20.257 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 7.8435 6.46217 13.6138 9.42916 9.71411 11.4742 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 6.99125 5.4206 3.37046 12.612 9.27009 8.40695 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 6.99125 9.56763 8.30017 12.612 9.27009 9.35867 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 6.11331 8.06621 11.6769 10.8263 9.97968 9.45696 numMergedOcc 0
17 mol 170 unq 0 iso 0 dist 5.13268 7.48765 4.57041 7.29587 6.47164 11.008 numMergedOcc 0
18 mol 170 unq 1 iso 0 dist 5.13268 7.48765 4.57041 8.73585 9.65126 13.7127 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 8.17226 7.88501 4.46688 5.80425 8.92115 10.5209 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 8.17226 9.09585 4.9849 5.80425 8.92115 11.0867 numMergedOcc 0
21 mol 186 unq 2 iso 0 dist 8.31881 9.12783 3.11607 6.16503 6.88127 5.68985 numMergedOcc 0
22 mol 188 unq 0 iso 0 dist 7.79115 6.18257 3.42559 5.0782 8.66624 8.34477 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 8.21997 6.20118 3.14057 4.23527 5.31416 5.05626 numMergedOcc 0
