0 mol 15 unq 0 iso 0 dist 5.72359 4.21233 5.7147 5.94245 5.33641 6.31608 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.26048 6.03598 5.7147 9.30623 5.33641 6.31608 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.887 5.29955 6.52283 10.2677 10.3779 7.37118 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 8.8014 14.9646 8.71074 14.2947 5.75753 9.87699 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 8.52697 8.47393 9.04293 6.9297 3.99035 6.86517 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 8.52697 8.47393 9.04293 12.8253 6.69352 8.33791 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 6.24296 3.81285 4.29937 12.1571 10.797 9.13593 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 6.24296 6.17121 5.37869 12.1571 10.797 8.25144 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 6.83218 3.81285 3.65628 12.1571 7.04693 9.13593 numMergedOcc 0
9 mol 85 unq 3 iso 0 dist 6.83218 6.17121 4.05415 12.1571 7.04693 8.25144 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 9.43355 3.99275 8.28591 6.70158 14.433 7.48947 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 5.64141 3.99275 5.35008 6.70158 9.54244 7.48947 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 5.46186 3.99275 8.30921 6.70158 9.86691 7.48947 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 7.63284 12.7121 7.14813 12.9723 9.90428 9.57429 numMergedOcc 0
14 mol 107 unq 0 iso 0 dist 8.50257 13.9569 9.09262 10.0459 3.79393 7.89505 numMergedOcc 0
15 mol 123 unq 0 iso 0 dist 6.49766 3.61945 4.14492 7.36361 10.9073 7.30244 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 5.24228 6.46148 5.95801 12.4612 9.84473 6.90583 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 5.24228 14.5965 9.92715 12.4612 9.84473 6.75593 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.22792 10.2655 6.94594 9.49913 3.87169 7.37629 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 9.22792 11.6331 5.81881 9.49913 3.87169 5.68985 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 5.00402 8.73397 9.4366 7.77211 3.87082 8.2241 numMergedOcc 0
21 mol 186 unq 3 iso 0 dist 8.28282 12.5023 9.34653 15.4513 12.7314 5.25762 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 8.88095 6.15282 8.62266 6.35591 3.80663 8.77098 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 9.98518 3.76412 8.06767 12.182 7.08709 9.23152 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 9.98518 3.76412 8.06767 12.182 7.08709 9.23152 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 9.98518 3.76412 8.06767 12.182 7.08709 9.23152 numMergedOcc 0
