0 mol 11 unq 0 iso 0 dist 9.78754 5.71129 6.35398 9.66474 7.98326 10.9183 9.26728 9.81983 10.7048 6.76736 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.78754 5.71129 6.35398 10.3999 7.90478 9.99434 9.26728 9.81983 10.7048 13.5186 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 4.38047 6.76462 6.14538 10.5895 9.17082 4.24786 2.97898 5.27979 7.15034 10.1434 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 5.51406 10.2967 9.30539 10.4949 8.66165 4.57085 8.88997 9.97813 4.73184 5.21888 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 7.7913 4.73713 5.9465 11.9687 6.77241 8.70803 14.5986 6.89071 12.2908 8.93569 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 7.7913 4.73713 5.9465 12.841 5.50508 9.52327 14.5986 6.89071 12.2908 3.98877 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 7.7913 4.36394 6.97962 11.9687 6.77241 8.87994 14.5986 6.89071 13.6054 8.93569 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 7.7913 4.36394 6.97962 12.841 5.50508 11.641 14.5986 6.89071 13.6054 3.98877 numMergedOcc 0
8 mol 92 unq 4 iso 0 dist 7.7913 14.0487 9.95342 11.9687 6.77241 7.52639 14.5986 6.89071 11.2746 8.93569 numMergedOcc 0
9 mol 92 unq 5 iso 0 dist 7.7913 14.0487 9.95342 12.841 5.50508 7.34683 14.5986 6.89071 11.2746 3.98877 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 9.66068 16.3524 8.8822 14.6132 6.6317 7.27193 3.74516 7.40338 15.3211 13.2601 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 8.95598 4.41193 6.42735 12.4352 7.54099 8.08596 9.10254 7.02762 5.03539 4.12242 numMergedOcc 0
12 mol 237 unq 0 iso 0 dist 8.42502 10.0582 9.20822 3.96327 8.10254 10.6582 3.78608 8.95332 7.00249 5.18809 numMergedOcc 0
13 mol 244 unq 0 iso 0 dist 8.08939 11.6777 5.50492 8.89726 7.95359 7.6169 15.1141 9.30179 8.49798 8.74744 numMergedOcc 0
14 mol 244 unq 1 iso 0 dist 8.08939 11.6777 5.50492 8.89726 7.95359 7.6169 3.62882 6.10489 9.54706 5.98501 numMergedOcc 0
15 mol 244 unq 2 iso 0 dist 8.08939 11.6777 5.50492 8.89726 7.95359 7.6169 7.8506 4.4204 4.06591 5.00596 numMergedOcc 0
16 mol 244 unq 3 iso 0 dist 8.08939 11.6777 5.50492 10.6799 6.22122 5.17744 15.1141 9.30179 8.49798 13.2473 numMergedOcc 0
17 mol 244 unq 4 iso 0 dist 8.08939 11.6777 5.50492 10.6799 6.22122 5.17744 3.62882 6.10489 9.54706 10.1665 numMergedOcc 0
18 mol 244 unq 5 iso 0 dist 8.08939 11.6777 5.50492 10.6799 6.22122 5.17744 7.8506 4.4204 4.06591 5.68434 numMergedOcc 0
19 mol 244 unq 6 iso 0 dist 7.33574 7.45211 5.50492 4.55034 7.95359 7.6169 12.1511 9.30179 8.49798 8.74744 numMergedOcc 0
20 mol 244 unq 7 iso 0 dist 7.33574 7.45211 5.50492 4.55034 7.95359 7.6169 5.2503 6.10489 9.54706 5.98501 numMergedOcc 0
21 mol 244 unq 8 iso 0 dist 7.33574 7.45211 5.50492 4.55034 7.95359 7.6169 3.66626 4.4204 4.06591 5.00596 numMergedOcc 0
22 mol 244 unq 9 iso 0 dist 7.33574 7.45211 5.50492 8.05133 6.22122 5.17744 12.1511 9.30179 8.49798 13.2473 numMergedOcc 0
23 mol 244 unq 10 iso 0 dist 7.33574 7.45211 5.50492 8.05133 6.22122 5.17744 5.2503 6.10489 9.54706 10.1665 numMergedOcc 0
24 mol 244 unq 11 iso 0 dist 7.33574 7.45211 5.50492 8.05133 6.22122 5.17744 3.66626 4.4204 4.06591 5.68434 numMergedOcc 0
25 mol 249 unq 0 iso 0 dist 6.58109 9.9244 5.48118 6.02223 5.9627 9.0676 14.8497 8.76518 10.3504 11.2713 numMergedOcc 0
26 mol 249 unq 1 iso 0 dist 6.58109 9.9973 7.25858 6.02223 5.9627 6.56117 14.8497 8.76518 10.9925 11.2713 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 6.38341 5.75973 8.83865 7.55971 7.16346 12.0136 10.2963 9.81919 9.32873 9.84575 numMergedOcc 0
28 mol 273 unq 1 iso 0 dist 6.38341 9.40198 9.18157 7.55971 7.16346 12.1851 10.2963 9.81919 5.04315 9.84575 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 8.42076 8.60619 6.89451 5.89772 6.95912 7.83813 9.03098 7.99204 4.21609 5.75106 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 8.42076 8.60619 6.89451 5.89772 6.95912 7.83813 9.03098 7.99204 4.21609 5.75106 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 8.42076 8.60619 6.89451 5.89772 6.95912 7.83813 9.03098 7.99204 4.21609 5.75106 numMergedOcc 0
