0 mol 7 unq 0 iso 0 dist 8.85869 7.5298 5.38328 14.1047 9.85726 10.8678 19.2577 11.5784 15.6279 9.60499 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.85869 7.87568 9.19359 14.1047 9.85726 10.0826 19.2577 11.5784 17.5997 9.60499 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.5298 8.85869 5.38328 14.06 7.21217 10.2729 12.3221 6.09254 4.57188 7.10621 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.5298 7.87568 5.02731 14.06 7.21217 10.557 12.3221 6.09254 10.4333 7.10621 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.84699 8.40844 5.47475 13.4367 6.89722 7.26679 10.1112 10.4716 8.31041 9.96396 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 7.84699 8.40844 5.47475 13.4367 6.89722 7.26679 8.124 5.2774 5.44275 6.19304 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 7.84699 8.40844 5.47475 13.4367 6.89722 7.26679 19.5696 13.9156 11.2674 8.70481 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 7.84699 6.99156 5.05066 13.4367 6.89722 10.1503 10.1112 10.4716 11.7069 9.96396 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 7.84699 6.99156 5.05066 13.4367 6.89722 10.1503 8.124 5.2774 8.0624 6.19304 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 7.84699 6.99156 5.05066 13.4367 6.89722 10.1503 19.5696 13.9156 14.5102 8.70481 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 8.40844 7.84699 5.47475 5.33851 9.68526 11.7436 10.1112 8.31041 10.4716 9.38498 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 8.40844 7.84699 5.47475 13.4367 7.26679 6.89722 10.1112 8.31041 10.4716 9.96396 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 8.40844 7.84699 5.47475 13.4367 7.26679 6.89722 8.124 5.44275 5.2774 6.19304 numMergedOcc 0
13 mol 73 unq 9 iso 0 dist 8.40844 7.84699 5.47475 13.4367 7.26679 6.89722 19.5696 11.2674 13.9156 8.70481 numMergedOcc 0
14 mol 73 unq 10 iso 0 dist 8.40844 7.84699 5.47475 15.7164 9.30776 14.4206 10.1112 8.31041 10.4716 9.75218 numMergedOcc 0
15 mol 73 unq 11 iso 0 dist 8.40844 6.99156 4.4628 5.33851 9.68526 9.72442 10.1112 8.31041 11.7069 9.38498 numMergedOcc 0
16 mol 73 unq 12 iso 0 dist 8.40844 6.99156 4.4628 13.4367 7.26679 10.1503 10.1112 8.31041 11.7069 9.96396 numMergedOcc 0
17 mol 73 unq 13 iso 0 dist 8.40844 6.99156 4.4628 13.4367 7.26679 10.1503 8.124 5.44275 8.0624 6.19304 numMergedOcc 0
18 mol 73 unq 14 iso 0 dist 8.40844 6.99156 4.4628 13.4367 7.26679 10.1503 19.5696 11.2674 14.5102 8.70481 numMergedOcc 0
19 mol 73 unq 15 iso 0 dist 8.40844 6.99156 4.4628 15.7164 9.30776 13.2514 10.1112 8.31041 11.7069 9.75218 numMergedOcc 0
20 mol 73 unq 16 iso 0 dist 6.99156 7.84699 5.05066 5.33851 9.72442 11.7436 10.1112 11.7069 10.4716 9.38498 numMergedOcc 0
21 mol 73 unq 17 iso 0 dist 6.99156 8.40844 4.4628 5.33851 9.72442 9.68526 10.1112 11.7069 8.31041 9.38498 numMergedOcc 0
22 mol 73 unq 18 iso 0 dist 7.53504 8.66342 5.47475 9.64124 6.89722 7.26679 16.3948 10.4716 8.31041 9.96396 numMergedOcc 0
23 mol 73 unq 19 iso 0 dist 7.53504 8.66342 5.47475 9.64124 6.89722 7.26679 11.801 5.2774 5.44275 6.19304 numMergedOcc 0
24 mol 73 unq 20 iso 0 dist 7.53504 8.66342 5.47475 9.64124 6.89722 7.26679 12.2721 13.9156 11.2674 8.70481 numMergedOcc 0
25 mol 73 unq 21 iso 0 dist 7.53504 7.21285 5.05066 9.64124 6.89722 10.1503 16.3948 10.4716 11.7069 9.96396 numMergedOcc 0
26 mol 73 unq 22 iso 0 dist 7.53504 7.21285 5.05066 9.64124 6.89722 10.1503 11.801 5.2774 8.0624 6.19304 numMergedOcc 0
27 mol 73 unq 23 iso 0 dist 7.53504 7.21285 5.05066 9.64124 6.89722 10.1503 12.2721 13.9156 14.5102 8.70481 numMergedOcc 0
28 mol 73 unq 24 iso 0 dist 7.53504 6.95094 9.51715 9.64124 6.89722 14.918 16.3948 10.4716 18.994 9.96396 numMergedOcc 0
29 mol 73 unq 25 iso 0 dist 7.53504 6.95094 9.51715 9.64124 6.89722 14.918 11.801 5.2774 14.4844 6.19304 numMergedOcc 0
30 mol 73 unq 26 iso 0 dist 7.53504 6.95094 9.51715 9.64124 6.89722 14.918 12.2721 13.9156 18.8474 8.70481 numMergedOcc 0
31 mol 73 unq 27 iso 0 dist 8.66342 7.53504 5.47475 16.8585 9.68526 11.7436 16.3948 8.31041 10.4716 9.38498 numMergedOcc 0
32 mol 73 unq 28 iso 0 dist 8.66342 7.53504 5.47475 9.64124 7.26679 6.89722 16.3948 8.31041 10.4716 9.96396 numMergedOcc 0
33 mol 73 unq 29 iso 0 dist 8.66342 7.53504 5.47475 9.64124 7.26679 6.89722 11.801 5.44275 5.2774 6.19304 numMergedOcc 0
34 mol 73 unq 30 iso 0 dist 8.66342 7.53504 5.47475 9.64124 7.26679 6.89722 12.2721 11.2674 13.9156 8.70481 numMergedOcc 0
35 mol 73 unq 31 iso 0 dist 8.66342 7.53504 5.47475 16.0481 9.30776 14.4206 16.3948 8.31041 10.4716 9.75218 numMergedOcc 0
36 mol 73 unq 32 iso 0 dist 8.66342 7.21285 4.4628 16.8585 9.68526 9.72442 16.3948 8.31041 11.7069 9.38498 numMergedOcc 0
37 mol 73 unq 33 iso 0 dist 8.66342 7.21285 4.4628 9.64124 7.26679 10.1503 16.3948 8.31041 11.7069 9.96396 numMergedOcc 0
38 mol 73 unq 34 iso 0 dist 8.66342 7.21285 4.4628 9.64124 7.26679 10.1503 11.801 5.44275 8.0624 6.19304 numMergedOcc 0
39 mol 73 unq 35 iso 0 dist 8.66342 7.21285 4.4628 9.64124 7.26679 10.1503 12.2721 11.2674 14.5102 8.70481 numMergedOcc 0
40 mol 73 unq 36 iso 0 dist 8.66342 7.21285 4.4628 16.0481 9.30776 13.2514 16.3948 8.31041 11.7069 9.75218 numMergedOcc 0
41 mol 73 unq 37 iso 0 dist 8.66342 6.95094 11.6754 16.8585 9.68526 16.0684 16.3948 8.31041 18.994 9.38498 numMergedOcc 0
42 mol 73 unq 38 iso 0 dist 8.66342 6.95094 11.6754 9.64124 7.26679 14.918 16.3948 8.31041 18.994 9.96396 numMergedOcc 0
43 mol 73 unq 39 iso 0 dist 8.66342 6.95094 11.6754 9.64124 7.26679 14.918 11.801 5.44275 14.4844 6.19304 numMergedOcc 0
44 mol 73 unq 40 iso 0 dist 8.66342 6.95094 11.6754 9.64124 7.26679 14.918 12.2721 11.2674 18.8474 8.70481 numMergedOcc 0
45 mol 73 unq 41 iso 0 dist 8.66342 6.95094 11.6754 16.0481 9.30776 20.2103 16.3948 8.31041 18.994 9.75218 numMergedOcc 0
46 mol 73 unq 42 iso 0 dist 7.21285 7.53504 5.05066 16.8585 9.72442 11.7436 16.3948 11.7069 10.4716 9.38498 numMergedOcc 0
47 mol 73 unq 43 iso 0 dist 7.21285 8.66342 4.4628 16.8585 9.72442 9.68526 16.3948 11.7069 8.31041 9.38498 numMergedOcc 0
48 mol 73 unq 44 iso 0 dist 7.21285 6.95094 7.64038 16.8585 9.72442 16.0684 16.3948 11.7069 18.994 9.38498 numMergedOcc 0
49 mol 101 unq 0 iso 0 dist 5.51185 9.1109 6.8125 9.11989 8.77773 15.3164 8.97911 5.16122 10.6263 6.57035 numMergedOcc 0
50 mol 102 unq 0 iso 0 dist 9.61113 7.59973 7.56811 13.9809 9.01767 9.80678 12.1389 6.42572 5.54551 7.36792 numMergedOcc 0
51 mol 102 unq 1 iso 0 dist 7.59973 9.61113 7.56811 13.9809 9.80678 9.01767 12.1389 5.54551 6.42572 7.36792 numMergedOcc 0
52 mol 131 unq 0 iso 0 dist 5.50364 8.7301 8.09035 5.29825 8.97145 6.5874 12.0117 14.257 7.60371 6.85062 numMergedOcc 0
53 mol 131 unq 1 iso 0 dist 8.7301 5.50364 8.09035 5.29825 6.5874 8.97145 12.0117 7.60371 14.257 6.85062 numMergedOcc 0
54 mol 156 unq 0 iso 0 dist 6.67598 8.98636 5.58471 5.66289 7.30021 12.0043 9.19499 5.0966 8.58765 7.44554 numMergedOcc 0
55 mol 156 unq 1 iso 0 dist 6.67598 8.98636 5.58471 5.66289 7.30021 12.0043 7.11647 5.75141 5.6208 8.94056 numMergedOcc 0
56 mol 156 unq 2 iso 0 dist 6.67598 8.98636 5.58471 5.66289 7.30021 12.0043 13.581 12.865 16.2371 9.83699 numMergedOcc 0
57 mol 156 unq 3 iso 0 dist 6.67598 8.79185 10.7024 5.66289 7.30021 10.0734 9.19499 5.0966 9.07974 7.44554 numMergedOcc 0
58 mol 156 unq 4 iso 0 dist 6.67598 8.79185 10.7024 5.66289 7.30021 10.0734 7.11647 5.75141 5.70205 8.94056 numMergedOcc 0
59 mol 156 unq 5 iso 0 dist 6.67598 8.79185 10.7024 5.66289 7.30021 10.0734 13.581 12.865 9.95824 9.83699 numMergedOcc 0
60 mol 156 unq 6 iso 0 dist 8.79185 6.67598 10.7024 5.59399 6.71202 10.6034 7.11647 5.70205 5.75141 7.66148 numMergedOcc 0
61 mol 156 unq 7 iso 0 dist 8.79185 8.98636 10.9842 5.59399 6.71202 10.2601 7.11647 5.70205 5.6208 7.66148 numMergedOcc 0
62 mol 181 unq 0 iso 0 dist 4.35909 5.77393 8.67658 5.32859 7.44191 6.00053 11.0615 9.60754 11.1879 8.03334 numMergedOcc 0
63 mol 181 unq 1 iso 0 dist 5.77393 4.35909 8.67658 5.32859 6.00053 7.44191 11.0615 11.1879 9.60754 8.03334 numMergedOcc 0
64 mol 220 unq 0 iso 0 dist 4.3362 5.51565 5.88344 9.20027 7.31105 10.2676 17.1012 14.6296 19.1028 9.23153 numMergedOcc 0
65 mol 220 unq 1 iso 0 dist 4.3362 5.51565 5.88344 9.20027 7.31105 10.2676 13.6374 9.52692 13.0368 8.24498 numMergedOcc 0
66 mol 224 unq 0 iso 0 dist 7.46044 9.92947 16.6444 13.1803 9.75313 22.9005 10.6043 6.46679 19.7343 6.61986 numMergedOcc 0
67 mol 224 unq 1 iso 0 dist 4.99301 6.36813 6.35724 5.25583 6.56437 6.23882 13.0296 14.2632 15.0038 8.95269 numMergedOcc 0
68 mol 224 unq 2 iso 0 dist 6.36813 4.99301 6.35724 5.25583 6.23882 6.56437 13.0296 15.0038 14.2632 8.95269 numMergedOcc 0
69 mol 224 unq 3 iso 0 dist 7.7163 9.2 5.75133 11.8217 9.34636 12.8171 7.07564 5.63485 4.8786 8.95269 numMergedOcc 0
70 mol 224 unq 4 iso 0 dist 7.7163 9.2 5.75133 10.8463 9.79616 11.1052 7.07564 5.63485 4.8786 6.57273 numMergedOcc 0
71 mol 224 unq 5 iso 0 dist 7.7163 9.2 5.75133 10.8463 9.79616 11.1052 12.0295 9.36962 7.18448 6.60589 numMergedOcc 0
72 mol 224 unq 6 iso 0 dist 9.2 7.7163 5.75133 5.44863 9.29703 10.0081 7.07564 4.8786 5.63485 5.78342 numMergedOcc 0
73 mol 224 unq 7 iso 0 dist 9.2 7.7163 5.75133 5.44863 9.29703 10.0081 12.0295 7.18448 9.36962 9.16166 numMergedOcc 0
74 mol 224 unq 8 iso 0 dist 9.2 7.7163 5.75133 5.44863 9.29703 10.0081 9.11052 6.38066 10.3532 5.81334 numMergedOcc 0
75 mol 230 unq 0 iso 0 dist 5.00735 6.73755 5.38279 6.33989 8.43766 10.6474 5.62804 7.07028 5.26217 6.7547 numMergedOcc 0
76 mol 249 unq 0 iso 0 dist 5.66519 6.50067 5.2966 8.68833 7.29898 8.91685 10.291 6.6173 5.25611 7.57994 numMergedOcc 0
77 mol 249 unq 1 iso 0 dist 5.66519 6.50067 5.2966 8.68833 7.29898 8.91685 12.7977 8.95486 9.66184 6.18582 numMergedOcc 0
78 mol 249 unq 2 iso 0 dist 6.50067 5.66519 5.2966 8.68833 8.91685 7.29898 10.291 5.25611 6.6173 7.57994 numMergedOcc 0
79 mol 249 unq 3 iso 0 dist 6.50067 5.66519 5.2966 8.68833 8.91685 7.29898 12.7977 9.66184 8.95486 6.18582 numMergedOcc 0
80 mol 274 unq 0 iso 0 dist 5.68643 8.99974 4.94221 7.48637 9.91395 14.4561 8.78883 4.97216 8.19222 9.10818 numMergedOcc 0
81 mol 274 unq 1 iso 0 dist 5.68643 8.36043 6.01628 7.48637 9.91395 13.4473 8.78883 4.97216 10.2686 9.10818 numMergedOcc 0
82 mol 274 unq 2 iso 0 dist 8.17922 8.26695 16.4367 10.374 7.80446 16.9664 13.261 6.57235 20.9668 9.10818 numMergedOcc 0
83 mol 274 unq 3 iso 0 dist 8.17922 5.59151 12.757 10.374 7.80446 12.4776 13.261 6.57235 17.9772 9.10818 numMergedOcc 0
84 mol 274 unq 4 iso 0 dist 9.96645 9.29005 19.0649 6.04536 9.696 11.5132 12.1604 10.7962 17.8032 7.56915 numMergedOcc 0
85 mol 274 unq 5 iso 0 dist 9.96645 9.29005 19.0649 6.04536 9.696 11.5132 11.4986 5.1874 19.5516 8.49997 numMergedOcc 0
86 mol 274 unq 6 iso 0 dist 9.96645 8.16746 17.8293 6.04536 9.696 12.0331 12.1604 10.7962 17.306 7.56915 numMergedOcc 0
87 mol 274 unq 7 iso 0 dist 9.96645 8.16746 17.8293 6.04536 9.696 12.0331 11.4986 5.1874 18.7379 8.49997 numMergedOcc 0
88 mol 274 unq 8 iso 0 dist 9.2447 7.87268 12.0214 6.12463 9.696 11.6937 12.2117 10.7962 14.0982 7.56915 numMergedOcc 0
89 mol 274 unq 9 iso 0 dist 9.2447 7.87268 12.0214 6.12463 9.696 11.6937 10.1296 5.1874 11.3186 8.49997 numMergedOcc 0
90 mol 277 unq 0 iso 0 dist 9.42812 8.83777 11.4925 16.2915 6.90434 16.3185 20.3589 13.2927 15.6207 9.7748 numMergedOcc 0
91 mol 280 unq 0 iso 0 dist 9.9227 9.047 11.5166 5.80223 8.85762 13.1827 8.80588 4.95798 14.1091 6.0664 numMergedOcc 0
92 mol 282 unq 0 iso 0 dist 6.40686 7.14443 6.38894 4.89059 5.67266 5.80981 12.7745 9.63727 9.60898 8.04483 numMergedOcc 0
93 mol 282 unq 1 iso 0 dist 6.40686 7.14443 6.38894 4.89059 5.67266 5.80981 10.161 4.58403 10.5698 8.76532 numMergedOcc 0
94 mol 282 unq 2 iso 0 dist 6.40686 7.14443 6.38894 4.89059 5.67266 5.80981 9.83042 5.04235 8.37652 6.33524 numMergedOcc 0
95 mol 282 unq 3 iso 0 dist 7.14443 6.40686 6.38894 4.89059 5.80981 5.67266 12.7745 9.60898 9.63727 8.04483 numMergedOcc 0
96 mol 282 unq 4 iso 0 dist 7.14443 6.40686 6.38894 4.89059 5.80981 5.67266 10.161 10.5698 4.58403 8.76532 numMergedOcc 0
97 mol 282 unq 5 iso 0 dist 7.14443 6.40686 6.38894 4.89059 5.80981 5.67266 9.83042 8.37652 5.04235 6.33524 numMergedOcc 0
