0 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 7.48342 4.39605 12.1303 5.90976 8.21493 7.12903 10.0974 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 9.97507 8.38064 9.03536 7.48342 12.1303 4.39605 5.90976 7.12903 8.21493 10.0974 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 6.93532 5.30082 10.4366 6.2983 7.03948 5.47769 11.7521 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 6.31718 5.05803 6.92781 6.93532 10.4366 5.30082 6.2983 5.47769 7.03948 11.7521 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.20519 6.864 7.07775 7.75618 4.96411 7.08342 5.5841 9.80108 8.58657 7.02548 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 6.864 7.20519 7.07775 7.75618 7.08342 4.96411 5.5841 8.58657 9.80108 7.02548 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 6.41575 4.64838 4.97119 5.14627 6.20943 7.82528 5.82366 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 4.54938 8.4674 7.67038 6.41575 4.97119 4.64838 5.14627 7.82528 6.20943 5.82366 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 4.54938 7.82074 5.03957 6.41575 4.97119 6.01808 6.55187 8.23643 8.73972 11.3136 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 7.82074 4.54938 5.03957 6.41575 6.01808 4.97119 6.55187 8.73972 8.23643 11.3136 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 4.51865 6.864 7.67038 6.41423 4.64838 4.97119 4.69858 6.20943 7.82528 5.82366 numMergedOcc 0
11 mol 19 unq 3 iso 1 dist 6.864 4.51865 7.67038 6.41423 4.97119 4.64838 4.69858 7.82528 6.20943 5.82366 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 7.32874 9.55426 5.90225 7.21955 7.12541 5.74871 6.75888 6.40841 6.31428 8.71468 numMergedOcc 0
13 mol 58 unq 0 iso 1 dist 9.55426 7.32874 5.90225 7.21955 5.74871 7.12541 6.75888 6.31428 6.40841 8.71468 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 6.86465 6.35756 5.35073 8.80614 10.2049 5.49591 6.47744 8.63333 8.89374 9.11258 numMergedOcc 0
15 mol 58 unq 1 iso 1 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 6.47744 8.89374 8.63333 9.11258 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 9.24757 5.11416 6.56633 7.41074 8.70133 4.65521 7.10439 numMergedOcc 0
17 mol 73 unq 0 iso 1 dist 6.19304 9.96396 5.4148 9.24757 6.56633 5.11416 7.41074 4.65521 8.70133 7.10439 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 9.82915 9.29301 13.5116 7.98917 9.47876 7.22293 10.0297 numMergedOcc 0
19 mol 85 unq 0 iso 1 dist 7.47541 7.97049 6.9948 9.82915 13.5116 9.29301 7.98917 7.22293 9.47876 10.0297 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 7.54568 8.09967 4.65335 11.6116 9.47876 7.22293 11.8261 numMergedOcc 0
21 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 7.54568 4.65335 8.09967 11.6116 7.22293 9.47876 11.8261 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 7.4729 6.82344 8.95922 6.95572 9.50382 7.56363 6.99832 5.81965 9.70512 5.39745 numMergedOcc 0
23 mol 92 unq 0 iso 1 dist 6.82344 7.4729 8.95922 6.95572 7.56363 9.50382 6.99832 9.70512 5.81965 5.39745 numMergedOcc 0
24 mol 92 unq 1 iso 0 dist 7.4729 6.82344 8.95922 7.38677 12.7565 5.91004 6.99832 5.81965 9.70512 10.8154 numMergedOcc 0
25 mol 92 unq 1 iso 1 dist 6.82344 7.4729 8.95922 7.38677 5.91004 12.7565 6.99832 9.70512 5.81965 10.8154 numMergedOcc 0
26 mol 131 unq 0 iso 0 dist 7.12972 6.85062 6.63273 9.90168 8.23791 13.7237 6.19596 8.6243 6.91348 11.4282 numMergedOcc 0
27 mol 131 unq 0 iso 1 dist 6.85062 7.12972 6.63273 9.90168 13.7237 8.23791 6.19596 6.91348 8.6243 11.4282 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 5.41704 8.79571 5.42582 8.73604 numMergedOcc 0
29 mol 134 unq 0 iso 1 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 5.41704 5.42582 8.79571 8.73604 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 5.41704 8.79571 8.6355 8.73604 numMergedOcc 0
31 mol 134 unq 1 iso 1 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 5.41704 8.6355 8.79571 8.73604 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 5.41704 5.42582 8.6355 8.73604 numMergedOcc 0
33 mol 134 unq 1 iso 1 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 5.41704 8.6355 5.42582 8.73604 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 6.17103 8.79571 5.42582 8.73604 numMergedOcc 0
35 mol 134 unq 2 iso 1 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 6.17103 5.42582 8.79571 8.73604 numMergedOcc 0
36 mol 156 unq 0 iso 0 dist 7.44554 9.83699 8.38403 9.4013 5.71511 5.80008 6.29785 9.36805 7.55203 10.735 numMergedOcc 0
37 mol 156 unq 0 iso 1 dist 9.83699 7.44554 8.38403 9.4013 5.80008 5.71511 6.29785 7.55203 9.36805 10.735 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 7.43071 6.35849 10.204 6.43754 8.17891 6.95902 12.2922 numMergedOcc 0
39 mol 227 unq 0 iso 1 dist 8.65997 7.22101 5.22356 7.43071 10.204 6.35849 6.43754 6.95902 8.17891 12.2922 numMergedOcc 0
40 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 5.41321 10.9607 9.72615 6.43754 8.17891 6.95902 7.57454 numMergedOcc 0
41 mol 227 unq 1 iso 1 dist 8.65997 7.22101 5.22356 5.41321 9.72615 10.9607 6.43754 6.95902 8.17891 7.57454 numMergedOcc 0
42 mol 282 unq 0 iso 0 dist 8.04483 6.33524 5.39891 9.0975 5.65568 5.0324 6.3384 6.85028 7.32347 11.0343 numMergedOcc 0
43 mol 282 unq 0 iso 1 dist 6.33524 8.04483 5.39891 9.0975 5.0324 5.65568 6.3384 7.32347 6.85028 11.0343 numMergedOcc 0
