0 mol 16 unq 0 iso 0 dist 8.59049 9.45103 12.9201 12.5048 15.8605 8.43054 13.7748 15.4411 6.04677 5.84479 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 6.62246 8.8326 5.31985 15.957 10.0992 8.13108 11.0633 5.26206 4.74638 6.83992 numMergedOcc 0
2 mol 117 unq 0 iso 0 dist 8.81172 8.54233 6.57678 5.34484 9.84395 6.10127 5.24519 6.29427 6.66127 7.70533 numMergedOcc 0
3 mol 129 unq 0 iso 0 dist 6.23966 8.46972 6.28232 10.1294 10.1333 5.51197 12.6621 10.9907 4.79473 6.29026 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 9.79004 4.79003 6.9945 7.33132 8.22656 7.22643 14.2446 15.4455 12.9426 9.4473 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 8.43069 4.79003 4.19723 7.33132 6.82262 7.22643 14.2446 11.1611 12.9426 9.4473 numMergedOcc 0
6 mol 142 unq 0 iso 0 dist 7.15087 5.90339 4.67662 8.68855 9.2313 7.81207 9.5355 13.1936 9.23267 7.57458 numMergedOcc 0
7 mol 224 unq 0 iso 0 dist 9.73411 5.31916 7.05804 9.81806 6.57273 8.79428 15.0577 5.63485 12.65 9.79616 numMergedOcc 0
8 mol 224 unq 1 iso 0 dist 9.73411 5.31916 7.05804 5.99647 5.78342 6.8692 13.2758 4.8786 9.56183 9.29703 numMergedOcc 0
9 mol 224 unq 2 iso 0 dist 7.75485 5.31916 4.54188 9.81806 10.5128 8.79428 15.0577 10.3532 12.65 9.79616 numMergedOcc 0
10 mol 224 unq 3 iso 0 dist 7.75485 5.31916 4.54188 5.99647 5.81334 6.8692 13.2758 6.38066 9.56183 9.29703 numMergedOcc 0
11 mol 259 unq 0 iso 0 dist 5.75874 6.95658 6.73882 5.20592 8.53687 9.07743 9.16548 7.55268 9.90573 6.77279 numMergedOcc 0
12 mol 259 unq 1 iso 0 dist 5.75874 6.95658 6.73882 6.80302 10.5767 7.66153 9.16548 7.55268 9.90573 9.58006 numMergedOcc 0
13 mol 274 unq 0 iso 0 dist 5.82876 5.64169 5.22914 11.5127 12.3938 9.30212 16.9209 17.8741 15.2854 6.00877 numMergedOcc 0
14 mol 274 unq 1 iso 0 dist 5.82876 5.64169 5.22914 11.5127 12.3938 9.30212 17.7769 17.9269 16.784 8.66451 numMergedOcc 0
15 mol 274 unq 2 iso 0 dist 8.71129 5.64169 10.2884 11.5127 13.5896 9.30212 16.9209 17.6855 15.2854 6.00877 numMergedOcc 0
16 mol 274 unq 3 iso 0 dist 8.71129 5.64169 10.2884 11.5127 13.5896 9.30212 17.7769 16.0912 16.784 8.66451 numMergedOcc 0
17 mol 276 unq 0 iso 0 dist 8.79189 8.51449 8.26321 6.33662 6.87396 8.6759 12.2138 8.86096 5.58312 9.05218 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 8.80588 6.16546 4.90315 5.80223 6.0664 6.86234 9.9227 4.95798 7.42656 8.85762 numMergedOcc 0
