0 mol 14 unq 0 iso 0 dist 9.28341 12.5091 8.39221 5.58255 6.38364 7.00835 12.9829 4.15151 7.66311 8.91266 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 5.50504 5.25196 9.62468 7.62418 6.65721 10.7369 7.96502 6.32949 8.30431 9.59947 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 5.50504 5.25196 9.62468 6.53977 6.72123 11.5608 7.96502 6.32949 8.30431 12.3891 numMergedOcc 0
3 mol 61 unq 2 iso 0 dist 5.50504 6.97911 5.92705 7.62418 6.65721 5.4671 7.96502 6.32949 4.628 9.59947 numMergedOcc 0
4 mol 61 unq 3 iso 0 dist 5.50504 6.97911 5.92705 6.53977 6.72123 10.1513 7.96502 6.32949 4.628 12.3891 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.8079 11.4622 4.98104 5.182 7.4729 10.7572 14.3988 5.1767 8.67865 10.9081 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 9.8079 11.4622 4.98104 10.571 6.82344 5.50764 14.3988 5.1767 8.67865 10.3582 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 8.3558 5.38868 4.98104 15.1474 7.4729 10.7572 8.98532 5.1767 8.67865 10.9081 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 8.3558 5.38868 4.98104 8.66262 6.82344 5.50764 8.98532 5.1767 8.67865 10.3582 numMergedOcc 0
9 mol 102 unq 0 iso 0 dist 8.84131 10.8385 9.10229 8.90571 7.36792 8.17186 6.7095 7.49575 5.43401 9.0361 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 9.23803 5.20171 9.74643 6.32175 8.58044 5.5332 11.0154 12.8701 8.59182 13.6568 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 8.05028 5.20171 6.86702 6.32175 9.97763 5.5332 11.0154 5.95831 8.59182 13.6568 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 6.71345 5.67441 8.42445 6.49725 7.5732 7.18757 6.15949 5.24877 5.31281 9.24515 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 9.50575 9.78923 6.7225 6.68557 5.11551 5.39296 9.60865 5.3967 7.67341 8.35604 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 8.43116 7.46653 6.7225 4.96719 5.11551 5.39296 12.6771 5.3967 7.67341 8.35604 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 8.04723 6.1397 8.0974 14.4072 6.69288 12.2822 9.3355 13.6129 8.14441 18.3231 numMergedOcc 0
16 mol 178 unq 1 iso 0 dist 8.04723 6.1397 8.0974 13.0519 6.43573 12.4338 9.3355 13.6129 8.14441 19.4581 numMergedOcc 0
17 mol 178 unq 2 iso 0 dist 8.04723 6.1397 8.0974 10.5681 7.17202 13.9722 9.3355 13.6129 8.14441 17.5964 numMergedOcc 0
18 mol 178 unq 3 iso 0 dist 8.04723 6.1397 8.0974 9.1499 8.81551 13.5599 9.3355 13.6129 8.14441 17.9703 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 9.74465 12.774 6.00053 8.42326 8.03334 11.1879 19.0375 9.49952 8.78709 16.4033 numMergedOcc 0
20 mol 197 unq 0 iso 0 dist 7.70631 16.2482 8.64255 12.7195 8.56633 11.8861 13.2088 8.58314 8.51118 16.0172 numMergedOcc 0
21 mol 210 unq 0 iso 0 dist 8.58471 15.9233 9.67457 10.3518 6.18308 5.82028 17.8352 13.3929 6.24111 8.07523 numMergedOcc 0
22 mol 210 unq 1 iso 0 dist 8.58471 15.9233 9.67457 10.3518 6.18308 5.82028 15.2952 12.3088 9.00343 7.56882 numMergedOcc 0
23 mol 210 unq 2 iso 0 dist 8.58471 15.9233 9.67457 10.3518 6.18308 5.82028 20.3573 13.3774 6.41444 10.5902 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 8.14644 14.5536 7.31105 12.2116 9.23153 14.6296 10.4705 6.19375 7.57712 15.0279 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 8.14644 14.5536 7.31105 12.2916 8.24498 9.52692 10.4705 6.19375 7.57712 13.2107 numMergedOcc 0
26 mol 241 unq 0 iso 0 dist 8.23536 4.56189 9.72526 5.50714 7.4631 4.86437 11.0484 7.93809 9.174 6.40592 numMergedOcc 0
27 mol 241 unq 1 iso 0 dist 6.90245 10.121 9.72526 5.3674 7.4631 4.86437 7.16232 7.93809 9.174 6.40592 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 7.40475 11.0674 8.71859 7.63032 7.69895 4.53213 11.8652 9.48478 8.11968 6.44967 numMergedOcc 0
29 mol 248 unq 1 iso 0 dist 7.40475 11.0674 8.71859 6.42334 7.21521 6.33032 11.8652 9.48478 8.11968 11.4848 numMergedOcc 0
30 mol 248 unq 2 iso 0 dist 7.40475 11.0674 8.71859 6.86606 8.2965 11.762 11.8652 9.48478 8.11968 15.9246 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 7.23956 7.09461 6.90434 15.6875 9.7748 13.2927 10.6227 7.44724 6.23539 14.2462 numMergedOcc 0
32 mol 278 unq 0 iso 0 dist 9.91518 5.49004 9.82774 12.8387 8.44326 10.5903 6.03414 8.66976 8.87405 15.1476 numMergedOcc 0
