0 mol 33 unq 0 iso 0 dist 8.41842 10.1727 7.44828 3.93232 6.53195 11.1555 13.689 5.7655 9.79966 11.4857 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 8.41842 10.1727 7.44828 3.93232 6.53195 11.1555 12.2459 5.62472 5.52992 11.6293 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 9.1662 3.86843 6.49343 14.4144 7.85738 12.6017 8.94945 7.01367 5.41831 14.1314 numMergedOcc 0
3 mol 127 unq 0 iso 0 dist 5.52891 6.87376 5.83719 4.58529 9.64136 11.1718 10.0053 4.87509 6.5087 14.3751 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 7.13958 4.74644 7.6453 3.54691 4.4077 6.61102 9.28278 4.80675 8.00624 7.97548 numMergedOcc 0
5 mol 129 unq 1 iso 0 dist 7.13958 4.74644 7.6453 3.54691 4.4077 6.61102 8.78082 7.01358 8.42289 7.32151 numMergedOcc 0
6 mol 129 unq 2 iso 0 dist 7.13958 4.74644 7.6453 5.56761 8.4874 9.0678 9.28278 4.80675 8.00624 9.64164 numMergedOcc 0
7 mol 129 unq 3 iso 0 dist 7.13958 4.74644 7.6453 5.56761 8.4874 9.0678 8.78082 7.01358 8.42289 13.0781 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 8.40718 12.4189 6.20044 16.6893 8.77524 6.42785 13.011 6.12296 9.24822 9.83641 numMergedOcc 0
9 mol 244 unq 0 iso 0 dist 9.53211 4.30655 7.79787 3.29359 9.3491 6.88123 13.4982 10.5547 9.21656 15.6395 numMergedOcc 0
10 mol 274 unq 0 iso 0 dist 6.28023 5.02003 9.34051 7.72539 8.67957 4.66969 8.49076 7.23876 8.88221 8.12739 numMergedOcc 0
11 mol 277 unq 0 iso 0 dist 6.70414 12.5633 8.15119 7.31817 4.1545 9.21484 9.29635 5.77904 4.81916 4.9764 numMergedOcc 0
12 mol 277 unq 1 iso 0 dist 6.70414 12.5633 8.15119 3.91224 4.25172 10.3506 9.29635 5.77904 4.81916 6.36559 numMergedOcc 0
13 mol 287 unq 0 iso 0 dist 7.47179 6.53276 6.45597 5.42266 8.73403 3.65914 7.26542 5.10722 9.32175 9.76232 numMergedOcc 0
14 mol 288 unq 0 iso 0 dist 7.47179 6.53276 6.45597 5.42266 8.73403 3.65914 7.26542 5.10722 9.32175 9.76232 numMergedOcc 0
15 mol 289 unq 0 iso 0 dist 7.47179 6.53276 6.45597 5.42266 8.73403 3.65914 7.26542 5.10722 9.32175 9.76232 numMergedOcc 0
16 mol 293 unq 0 iso 0 dist 4.66962 4.13058 6.52889 5.93756 6.52792 4.57721 6.27435 9.51167 9.25564 12.108 numMergedOcc 0
