0 mol 48 unq 0 iso 0 dist 5.82264 5.50677 7.7927 3.90503 6.17378 3.59445 numMergedOcc 0
1 mol 48 unq 0 iso 1 dist 5.82264 3.90503 6.17378 5.50677 7.7927 3.59445 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.56365 11.8248 7.7927 9.10288 6.17378 3.59445 numMergedOcc 0
3 mol 48 unq 1 iso 1 dist 8.56365 9.10288 6.17378 11.8248 7.7927 3.59445 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 6.86517 3.99035 9.04293 4.53016 4.78333 6.48468 numMergedOcc 0
5 mol 79 unq 0 iso 1 dist 6.86517 4.53016 4.78333 3.99035 9.04293 6.48468 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 6.2576 4.03842 7.92114 3.81317 8.18375 7.11515 numMergedOcc 0
7 mol 79 unq 1 iso 1 dist 6.2576 3.81317 8.18375 4.03842 7.92114 7.11515 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 8.96069 10.6312 7.92114 4.08868 8.18375 7.11515 numMergedOcc 0
9 mol 79 unq 2 iso 1 dist 8.96069 4.08868 8.18375 10.6312 7.92114 7.11515 numMergedOcc 0
10 mol 79 unq 3 iso 0 dist 7.56495 9.78235 7.92114 6.06691 8.18375 7.11515 numMergedOcc 0
11 mol 79 unq 3 iso 1 dist 7.56495 6.06691 8.18375 9.78235 7.92114 7.11515 numMergedOcc 0
12 mol 79 unq 4 iso 0 dist 8.33791 6.69352 9.04293 6.0749 4.78333 6.48468 numMergedOcc 0
13 mol 79 unq 4 iso 1 dist 8.33791 6.0749 4.78333 6.69352 9.04293 6.48468 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 9.13593 10.797 4.29937 7.04693 3.65628 3.78063 numMergedOcc 0
15 mol 85 unq 0 iso 1 dist 9.13593 7.04693 3.65628 10.797 4.29937 3.78063 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 9.13593 10.797 4.29937 6.7475 9.77774 13.0538 numMergedOcc 0
17 mol 85 unq 1 iso 1 dist 9.13593 6.7475 9.77774 10.797 4.29937 13.0538 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 9.13593 7.04693 3.65628 6.7475 9.77774 9.79029 numMergedOcc 0
19 mol 85 unq 1 iso 1 dist 9.13593 6.7475 9.77774 7.04693 3.65628 9.79029 numMergedOcc 0
20 mol 85 unq 2 iso 0 dist 8.25144 10.797 5.37869 7.04693 4.05415 3.78063 numMergedOcc 0
21 mol 85 unq 2 iso 1 dist 8.25144 7.04693 4.05415 10.797 5.37869 3.78063 numMergedOcc 0
22 mol 85 unq 3 iso 0 dist 8.25144 10.797 5.37869 6.7475 9.97944 13.0538 numMergedOcc 0
23 mol 85 unq 3 iso 1 dist 8.25144 6.7475 9.97944 10.797 5.37869 13.0538 numMergedOcc 0
24 mol 85 unq 3 iso 0 dist 8.25144 7.04693 4.05415 6.7475 9.97944 9.79029 numMergedOcc 0
25 mol 85 unq 3 iso 1 dist 8.25144 6.7475 9.97944 7.04693 4.05415 9.79029 numMergedOcc 0
26 mol 93 unq 0 iso 0 dist 7.48947 14.433 8.28591 9.54244 5.35008 5.21654 numMergedOcc 0
27 mol 93 unq 0 iso 1 dist 7.48947 9.54244 5.35008 14.433 8.28591 5.21654 numMergedOcc 0
28 mol 93 unq 1 iso 0 dist 7.48947 14.433 8.28591 9.86691 8.30921 13.3531 numMergedOcc 0
29 mol 93 unq 1 iso 1 dist 7.48947 9.86691 8.30921 14.433 8.28591 13.3531 numMergedOcc 0
30 mol 93 unq 1 iso 0 dist 7.48947 9.54244 5.35008 9.86691 8.30921 10.7398 numMergedOcc 0
31 mol 93 unq 1 iso 1 dist 7.48947 9.86691 8.30921 9.54244 5.35008 10.7398 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 5.13405 4.07076 6.76852 6.32315 4.94473 4.87973 numMergedOcc 0
33 mol 134 unq 0 iso 1 dist 5.13405 6.32315 4.94473 4.07076 6.76852 4.87973 numMergedOcc 0
34 mol 168 unq 0 iso 0 dist 6.12453 12.6805 7.0961 4.02702 8.21227 13.6611 numMergedOcc 0
35 mol 168 unq 0 iso 1 dist 6.12453 4.02702 8.21227 12.6805 7.0961 13.6611 numMergedOcc 0
36 mol 168 unq 1 iso 0 dist 6.12453 12.6805 7.0961 7.61798 6.53038 12.3632 numMergedOcc 0
37 mol 168 unq 1 iso 1 dist 6.12453 7.61798 6.53038 12.6805 7.0961 12.3632 numMergedOcc 0
38 mol 168 unq 1 iso 0 dist 6.12453 4.02702 8.21227 7.61798 6.53038 11.4215 numMergedOcc 0
39 mol 168 unq 1 iso 1 dist 6.12453 7.61798 6.53038 4.02702 8.21227 11.4215 numMergedOcc 0
40 mol 186 unq 0 iso 0 dist 7.37629 8.66149 9.17458 3.87169 6.94594 6.09215 numMergedOcc 0
41 mol 186 unq 0 iso 1 dist 7.37629 3.87169 6.94594 8.66149 9.17458 6.09215 numMergedOcc 0
42 mol 186 unq 1 iso 0 dist 5.68985 8.66149 7.36794 3.87169 5.81881 6.09215 numMergedOcc 0
43 mol 186 unq 1 iso 1 dist 5.68985 3.87169 5.81881 8.66149 7.36794 6.09215 numMergedOcc 0
44 mol 222 unq 0 iso 0 dist 9.30639 4.67663 6.39673 6.37382 7.80676 8.10209 numMergedOcc 0
45 mol 222 unq 0 iso 1 dist 9.30639 6.37382 7.80676 4.67663 6.39673 8.10209 numMergedOcc 0
46 mol 222 unq 1 iso 0 dist 6.24462 4.00869 6.39673 9.60662 7.80676 8.10209 numMergedOcc 0
47 mol 222 unq 1 iso 1 dist 6.24462 9.60662 7.80676 4.00869 6.39673 8.10209 numMergedOcc 0
48 mol 222 unq 2 iso 0 dist 6.02034 6.23984 6.39673 7.13962 7.80676 8.10209 numMergedOcc 0
49 mol 222 unq 2 iso 1 dist 6.02034 7.13962 7.80676 6.23984 6.39673 8.10209 numMergedOcc 0
50 mol 254 unq 0 iso 0 dist 9.31434 3.91259 5.6417 5.53173 7.42831 3.42946 numMergedOcc 0
51 mol 254 unq 0 iso 1 dist 9.31434 5.53173 7.42831 3.91259 5.6417 3.42946 numMergedOcc 0
52 mol 287 unq 0 iso 0 dist 9.23152 7.08709 8.06767 16.9083 9.91087 13.523 numMergedOcc 0
53 mol 287 unq 0 iso 1 dist 9.23152 16.9083 9.91087 7.08709 8.06767 13.523 numMergedOcc 0
54 mol 288 unq 0 iso 0 dist 9.23152 7.08709 8.06767 16.9083 9.91087 13.523 numMergedOcc 0
55 mol 288 unq 0 iso 1 dist 9.23152 16.9083 9.91087 7.08709 8.06767 13.523 numMergedOcc 0
56 mol 289 unq 0 iso 0 dist 9.23152 7.08709 8.06767 16.9083 9.91087 13.523 numMergedOcc 0
57 mol 289 unq 0 iso 1 dist 9.23152 16.9083 9.91087 7.08709 8.06767 13.523 numMergedOcc 0
