0 mol 26 unq 0 iso 0 dist 8.6112 6.88695 4.09495 10.5687 9.27369 10.177 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 5.81747 8.05508 12.0007 5.87788 7.69638 13.6427 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 5.81747 9.00229 10.9658 5.87788 7.69638 10.436 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 9.84346 9.23023 7.17843 18.5554 9.4486 11.4999 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.59503 8.4545 4.73713 12.49 5.93987 8.18107 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.59503 8.4545 4.73713 4.1125 7.7913 5.9465 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 9.59503 7.01176 4.36394 12.49 5.93987 9.8859 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 9.59503 7.01176 4.36394 4.1125 7.7913 6.97962 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 9.57953 4.99966 8.44658 11.6508 9.13032 13.7547 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 7.84249 7.53905 4.34071 6.62328 6.09626 9.28592 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 7.84249 7.15985 11.6091 6.62328 6.09626 10.7886 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 9.64281 8.89481 14.0364 9.01097 5.37302 9.66219 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 7.12336 5.86531 5.37072 12.6435 6.72323 10.9061 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 7.12336 9.50322 6.26797 10.2948 6.42904 9.22661 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 7.12336 5.82404 9.73435 10.2948 6.42904 13.5028 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 7.10223 7.26897 10.2589 9.10645 5.60184 14.249 numMergedOcc 0
16 mol 154 unq 1 iso 0 dist 7.10223 7.26897 10.2589 5.6364 8.86862 12.8537 numMergedOcc 0
17 mol 154 unq 2 iso 0 dist 7.10223 7.26897 10.2589 4.02111 7.08477 9.23461 numMergedOcc 0
18 mol 163 unq 0 iso 0 dist 9.04757 9.63873 4.12904 6.09134 9.62943 9.07943 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 8.44483 9.46833 14.0747 10.711 8.17917 12.8176 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 8.59783 6.07091 9.22906 4.98945 6.21194 9.61462 numMergedOcc 0
21 mol 244 unq 0 iso 0 dist 5.06669 7.65388 11.6777 4.38246 8.08939 5.50492 numMergedOcc 0
22 mol 244 unq 1 iso 0 dist 5.65248 7.65388 7.45211 4.38246 7.33574 5.50492 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 6.40339 6.37672 9.9244 4.20164 6.58109 5.48118 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 8.37512 9.59174 8.27707 5.32742 8.63176 9.63959 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 8.35169 7.53641 8.04474 9.58852 6.68863 11.4575 numMergedOcc 0
