0 mol 68 unq 0 iso 0 dist 9.87699 5.75753 8.71074 10.1926 12.8321 5.64092 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 6.86517 4.53016 4.78333 9.21098 5.63083 4.74254 numMergedOcc 0
2 mol 79 unq 1 iso 0 dist 8.33791 6.0749 4.78333 7.38548 5.63083 4.74254 numMergedOcc 0
3 mol 79 unq 2 iso 0 dist 7.38548 6.0749 4.74254 8.33791 5.63083 4.78333 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 8.99451 10.5584 5.35861 14.5056 5.72008 8.61641 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.13593 10.797 4.29937 8.25144 2.58673 5.37869 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 9.13593 7.04693 3.65628 8.25144 2.58673 4.05415 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 9.13593 6.7475 9.77774 8.25144 2.58673 9.97944 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 8.25144 10.797 5.37869 9.13593 2.58673 4.29937 numMergedOcc 0
9 mol 85 unq 4 iso 0 dist 8.25144 7.04693 4.05415 9.13593 2.58673 3.65628 numMergedOcc 0
10 mol 85 unq 5 iso 0 dist 8.25144 6.7475 9.97944 9.13593 2.58673 9.77774 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 7.48947 14.433 8.28591 17.856 10.7776 6.67678 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 7.48947 14.433 8.28591 19.1296 11.7564 7.24956 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 7.48947 14.433 8.28591 11.4564 5.02964 9.40687 numMergedOcc 0
14 mol 93 unq 3 iso 0 dist 7.48947 9.54244 5.35008 11.4564 5.02964 8.84576 numMergedOcc 0
15 mol 93 unq 4 iso 0 dist 7.48947 9.86691 8.30921 11.4564 5.02964 7.39732 numMergedOcc 0
16 mol 93 unq 5 iso 0 dist 7.48947 9.86691 8.30921 13.4607 8.84051 9.67744 numMergedOcc 0
17 mol 107 unq 0 iso 0 dist 7.89505 3.79393 9.09262 10.5526 13.5807 7.91251 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 5.35711 3.84573 4.30875 11.8845 9.78508 8.65807 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 6.90583 9.84473 5.95801 6.75593 10.7858 9.92715 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 6.75593 9.84473 9.92715 6.90583 10.7858 5.95801 numMergedOcc 0
21 mol 168 unq 0 iso 0 dist 6.12453 12.6805 7.0961 9.87447 5.29906 8.26768 numMergedOcc 0
22 mol 168 unq 1 iso 0 dist 9.87447 12.6805 8.26768 6.12453 5.29906 7.0961 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 5.41121 3.95773 4.11374 11.7722 9.48187 8.37602 numMergedOcc 0
24 mol 169 unq 1 iso 0 dist 7.85698 7.40692 7.65903 10.573 5.23644 5.97653 numMergedOcc 0
25 mol 169 unq 2 iso 0 dist 7.85698 7.40692 7.65903 11.9922 7.52063 7.75523 numMergedOcc 0
26 mol 169 unq 3 iso 0 dist 6.35799 9.68109 7.65903 10.8214 5.23644 5.97653 numMergedOcc 0
27 mol 169 unq 4 iso 0 dist 6.35799 9.68109 7.65903 12.7569 7.52063 7.75523 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 7.37629 8.66149 9.17458 5.68985 3.09727 7.36794 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 7.37629 3.87169 6.94594 5.68985 3.09727 5.81881 numMergedOcc 0
30 mol 186 unq 2 iso 0 dist 5.68985 8.66149 7.36794 7.37629 3.09727 9.17458 numMergedOcc 0
31 mol 186 unq 3 iso 0 dist 5.68985 3.87169 5.81881 7.37629 3.09727 6.94594 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 6.81516 5.19196 7.88986 12.4828 13.0936 7.4185 numMergedOcc 0
33 mol 205 unq 1 iso 0 dist 7.24614 6.9508 7.4185 14.796 13.0936 7.88986 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 5.05626 3.94038 8.49349 8.41013 10.5332 6.50654 numMergedOcc 0
35 mol 214 unq 1 iso 0 dist 8.41013 3.94038 6.50654 5.05626 10.5332 8.49349 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 9.30639 4.67663 6.39673 13.4403 7.78447 9.79673 numMergedOcc 0
37 mol 222 unq 1 iso 0 dist 6.24462 4.00869 6.39673 11.7093 7.78447 9.79673 numMergedOcc 0
38 mol 222 unq 2 iso 0 dist 6.02034 6.23984 6.39673 13.2474 7.78447 9.79673 numMergedOcc 0
39 mol 285 unq 0 iso 0 dist 8.79261 6.3633 4.27826 9.99125 4.87372 5.82074 numMergedOcc 0
40 mol 285 unq 1 iso 0 dist 9.99125 6.3633 5.82074 8.79261 4.87372 4.27826 numMergedOcc 0
