0 mol 63 unq 0 iso 0 dist 9.1662 8.94945 7.01367 14.4144 7.85738 14.1314 3.86843 6.49343 5.41831 12.6017 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 5.73908 7.51075 13.0823 7.27578 5.26566 13.5465 9.89879 13.8493 7.89424 11.3305 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 5.73908 7.51075 13.0823 5.66182 6.27118 11.8668 9.89879 13.8493 7.89424 11.8193 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 5.69055 5.47319 7.76775 9.48385 9.38568 14.2205 4.2124 9.70906 7.25721 10.5172 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 7.13958 9.28278 4.80675 3.54691 4.4077 7.97548 4.74644 7.6453 8.00624 6.61102 numMergedOcc 0
5 mol 129 unq 1 iso 0 dist 7.13958 9.28278 4.80675 5.56761 8.4874 9.64164 4.74644 7.6453 8.00624 9.0678 numMergedOcc 0
6 mol 129 unq 2 iso 0 dist 7.13958 8.78082 7.01358 3.54691 4.4077 7.32151 4.74644 7.6453 8.42289 6.61102 numMergedOcc 0
7 mol 129 unq 3 iso 0 dist 7.13958 8.78082 7.01358 5.56761 8.4874 13.0781 4.74644 7.6453 8.42289 9.0678 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 4.69402 5.86531 6.25005 5.56456 6.67937 10.3827 4.98521 9.38308 9.47554 6.208 numMergedOcc 0
9 mol 274 unq 0 iso 0 dist 6.28023 8.49076 7.23876 7.72539 8.67957 8.12739 5.02003 9.34051 8.88221 4.66969 numMergedOcc 0
10 mol 274 unq 1 iso 0 dist 6.28023 8.49076 7.23876 7.72539 8.67957 8.12739 12.6116 15.5776 9.65027 12.3693 numMergedOcc 0
11 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 7.31817 4.1545 4.9764 12.5633 8.15119 4.81916 9.21484 numMergedOcc 0
12 mol 277 unq 1 iso 0 dist 6.70414 9.29635 5.77904 3.91224 4.25172 6.36559 12.5633 8.15119 4.81916 10.3506 numMergedOcc 0
13 mol 287 unq 0 iso 0 dist 7.47179 7.26542 5.10722 5.42266 8.73403 9.76232 6.53276 6.45597 9.32175 3.65914 numMergedOcc 0
14 mol 288 unq 0 iso 0 dist 7.47179 7.26542 5.10722 5.42266 8.73403 9.76232 6.53276 6.45597 9.32175 3.65914 numMergedOcc 0
15 mol 289 unq 0 iso 0 dist 7.47179 7.26542 5.10722 5.42266 8.73403 9.76232 6.53276 6.45597 9.32175 3.65914 numMergedOcc 0
16 mol 293 unq 0 iso 0 dist 6.97887 6.27435 11.4201 5.93756 7.15948 12.108 6.74585 10.6176 5.44043 10.8443 numMergedOcc 0
17 mol 293 unq 1 iso 0 dist 6.97887 6.27435 11.4201 5.93756 7.15948 12.108 4.13058 9.55759 9.25564 4.57721 numMergedOcc 0
18 mol 293 unq 2 iso 0 dist 4.66962 6.27435 9.51167 5.93756 6.52792 12.108 6.74585 11.0368 5.44043 10.8443 numMergedOcc 0
19 mol 293 unq 3 iso 0 dist 4.66962 6.27435 9.51167 5.93756 6.52792 12.108 4.13058 6.52889 9.25564 4.57721 numMergedOcc 0
