0 mol 4 unq 0 iso 0 dist 9.4539 5.30385 7.87155 11.0787 14.7715 9.16617 11.7124 11.1621 10.6506 8.24634 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 9.4539 5.30385 7.87155 11.0787 14.7715 9.16617 11.6613 11.1433 6.49264 8.87255 numMergedOcc 0
2 mol 4 unq 2 iso 0 dist 6.47964 5.30385 8.55937 11.0787 15.3835 9.16617 11.7124 17.8564 10.6506 8.24634 numMergedOcc 0
3 mol 4 unq 3 iso 0 dist 6.47964 5.30385 8.55937 11.0787 15.3835 9.16617 11.6613 14.0038 6.49264 8.87255 numMergedOcc 0
4 mol 4 unq 4 iso 0 dist 9.50144 5.30385 11.5141 11.0787 15.6287 9.16617 11.7124 19.9908 10.6506 8.24634 numMergedOcc 0
5 mol 4 unq 5 iso 0 dist 9.50144 5.30385 11.5141 11.0787 15.6287 9.16617 11.6613 15.9537 6.49264 8.87255 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 9.22152 7.06532 10.658 5.75653 13.3202 8.23446 14.0475 19.8091 14.1082 8.4051 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 9.22152 7.06532 10.658 5.75653 13.3202 8.23446 11.0714 12.0962 11.342 8.75662 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 8.91354 6.93893 5.06999 14.4094 9.87709 9.30539 15.4477 12.3785 9.17687 9.01176 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.15664 8.96747 4.92054 6.09495 7.11695 8.91313 10.6424 6.7197 11.5449 8.16392 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 9.52061 7.32407 7.72162 5.99695 8.59695 9.36851 6.48695 7.95267 5.41583 4.97175 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 9.52061 6.48695 7.95267 5.99695 8.59695 4.97175 7.32407 7.72162 5.41583 9.36851 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 8.6953 6.86997 4.74651 9.70656 14.1021 9.91993 7.46919 9.03832 4.32771 6.22055 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 8.6953 6.86997 4.74651 5.77745 12.9544 9.99156 7.46919 9.03832 4.32771 8.18085 numMergedOcc 0
14 mol 148 unq 2 iso 0 dist 8.6953 7.46919 9.03832 9.70656 14.1021 6.22055 6.86997 4.74651 4.32771 9.91993 numMergedOcc 0
15 mol 148 unq 3 iso 0 dist 8.6953 7.46919 9.03832 5.77745 12.9544 8.18085 6.86997 4.74651 4.32771 9.99156 numMergedOcc 0
16 mol 150 unq 0 iso 0 dist 8.65967 6.79381 4.75241 9.69704 14.0932 9.96691 7.36989 9.0892 4.39943 6.14675 numMergedOcc 0
17 mol 150 unq 1 iso 0 dist 8.65967 6.79381 4.75241 9.69704 14.0932 9.96691 8.17805 10.21 5.93611 9.24244 numMergedOcc 0
18 mol 150 unq 2 iso 0 dist 8.65967 6.79381 4.75241 5.71213 12.8058 9.8656 7.36989 9.0892 4.39943 7.94889 numMergedOcc 0
19 mol 150 unq 3 iso 0 dist 8.65967 7.36989 9.0892 9.69704 14.0932 6.14675 6.79381 4.75241 4.39943 9.96691 numMergedOcc 0
20 mol 150 unq 4 iso 0 dist 8.65967 7.36989 9.0892 9.69704 14.0932 6.14675 8.17805 10.21 4.30207 9.24244 numMergedOcc 0
21 mol 150 unq 5 iso 0 dist 8.65967 7.36989 9.0892 5.71213 12.8058 7.94889 6.79381 4.75241 4.39943 9.8656 numMergedOcc 0
22 mol 150 unq 6 iso 0 dist 8.65967 8.17805 10.21 9.69704 14.0932 9.24244 6.79381 4.75241 5.93611 9.96691 numMergedOcc 0
23 mol 150 unq 7 iso 0 dist 8.65967 8.17805 10.21 9.69704 14.0932 9.24244 7.36989 9.0892 4.30207 6.14675 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 6.19457 6.4751 9.13204 9.28655 13.9194 5.93786 5.75085 6.62952 3.98338 8.1344 numMergedOcc 0
25 mol 171 unq 1 iso 0 dist 6.19457 6.4751 9.13204 10.4021 12.5963 8.24693 5.75085 6.62952 3.98338 6.71356 numMergedOcc 0
26 mol 171 unq 2 iso 0 dist 6.19457 5.75085 6.62952 9.28655 13.9194 8.1344 6.4751 9.13204 3.98338 5.93786 numMergedOcc 0
27 mol 171 unq 3 iso 0 dist 6.19457 5.75085 6.62952 10.4021 12.5963 6.71356 6.4751 9.13204 3.98338 8.24693 numMergedOcc 0
28 mol 174 unq 0 iso 0 dist 7.27146 5.07761 4.80246 12.6579 14.3124 9.87122 9.23052 6.39484 4.17687 8.87569 numMergedOcc 0
29 mol 174 unq 1 iso 0 dist 6.25798 5.07761 9.44119 12.6579 18.342 9.87122 9.23052 13.0034 4.17687 8.87569 numMergedOcc 0
30 mol 188 unq 0 iso 0 dist 8.1907 6.20426 5.01686 9.41911 11.3059 8.10214 13.2745 9.94001 9.01338 7.14503 numMergedOcc 0
31 mol 195 unq 0 iso 0 dist 7.2833 9.25935 8.71774 7.00308 10.999 7.36683 10.146 10.3263 9.90317 6.95086 numMergedOcc 0
