0 mol 24 unq 0 iso 0 dist 8.86116 6.86014 10.0952 6.58998 6.72502 10.7114 7.95042 5.11636 5.69214 8.24948 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 5.48048 8.44903 10.0649 6.75943 4.96926 5.41726 7.15901 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 5.73819 8.93915 5.89973 5.48048 8.44903 13.5072 6.75943 4.96926 10.0383 7.15901 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 8.80331 6.20293 8.13395 9.06158 9.93832 8.60739 10.0168 10.8828 5.07458 7.24352 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 6.20293 8.80331 8.13395 9.06158 8.60739 9.93832 10.0168 5.07458 10.8828 7.24352 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.64012 9.4099 6.47414 6.37648 7.27383 12.5444 9.08221 4.00553 8.55984 6.87028 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 9.60462 7.45389 7.05226 17.3924 9.92283 14.242 19.476 12.6108 14.6568 5.43933 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 9.60462 7.45389 7.05226 17.3924 9.92283 14.242 19.9429 10.9279 15.7639 4.99604 numMergedOcc 0
8 mol 112 unq 2 iso 0 dist 9.60462 7.45389 7.05226 17.3924 9.92283 14.242 19.2666 13.764 13.2647 9.97483 numMergedOcc 0
9 mol 112 unq 3 iso 0 dist 9.60462 7.45389 7.05226 17.3924 9.92283 14.242 10.2348 5.43385 7.54657 7.44041 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 5.83991 9.33865 7.69052 6.4497 5.72642 10.9734 10.5599 5.03039 11.1447 8.4965 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 7.88312 6.11741 7.69052 7.3094 5.72642 10.9734 11.8378 5.03039 11.1447 8.4965 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 7.12972 8.40312 5.55373 9.32969 6.92648 11.4206 14.4508 8.57203 12.6525 6.78801 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 7.12972 6.85062 6.63273 9.32969 6.92648 9.29384 14.4508 8.57203 12.6005 6.78801 numMergedOcc 0
14 mol 131 unq 2 iso 0 dist 6.85062 8.40312 10.7062 9.32969 9.29384 11.4206 14.4508 12.6005 12.6525 6.78801 numMergedOcc 0
15 mol 131 unq 3 iso 0 dist 6.85062 7.12972 6.63273 9.32969 9.29384 6.92648 14.4508 12.6005 8.57203 6.78801 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 9.4027 8.20836 10.873 14.3561 16.4114 18.3331 8.48313 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 8.94367 6.37586 5.49782 9.4027 8.20836 10.873 11.0808 12.8086 15.0225 6.99345 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 8.94367 6.37586 5.49782 9.4027 8.20836 10.873 9.33094 7.41373 10.8635 5.11043 numMergedOcc 0
19 mol 134 unq 3 iso 0 dist 8.94367 6.49416 8.80819 9.4027 8.20836 13.846 14.3561 16.4114 20.1682 8.48313 numMergedOcc 0
20 mol 134 unq 4 iso 0 dist 8.94367 6.49416 8.80819 9.4027 8.20836 13.846 11.0808 12.8086 15.9138 6.99345 numMergedOcc 0
21 mol 134 unq 5 iso 0 dist 8.94367 6.49416 8.80819 9.4027 8.20836 13.846 9.33094 7.41373 12.3479 5.11043 numMergedOcc 0
22 mol 134 unq 6 iso 0 dist 9.86662 9.71307 5.49782 5.12325 8.20836 10.873 9.71716 16.4114 18.3331 8.48313 numMergedOcc 0
23 mol 134 unq 7 iso 0 dist 9.86662 9.71307 5.49782 5.12325 8.20836 10.873 9.1998 12.8086 15.0225 6.99345 numMergedOcc 0
24 mol 134 unq 8 iso 0 dist 9.86662 9.71307 5.49782 5.12325 8.20836 10.873 8.69531 7.41373 10.8635 5.11043 numMergedOcc 0
25 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 5.59336 8.35555 10.4911 6.70693 4.94983 5.39112 7.1069 numMergedOcc 0
26 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 5.59336 8.35555 13.0858 6.70693 4.94983 9.67475 7.1069 numMergedOcc 0
27 mol 152 unq 2 iso 0 dist 5.87555 8.87437 5.49936 5.70788 8.28642 13.1536 10.4285 9.84297 15.1669 6.92726 numMergedOcc 0
28 mol 152 unq 3 iso 0 dist 8.87437 7.16148 5.42328 10.9728 8.35555 10.4911 10.4895 4.94983 5.39112 7.1069 numMergedOcc 0
29 mol 152 unq 4 iso 0 dist 8.87437 8.05741 5.54906 10.9728 8.35555 13.0858 10.4895 4.94983 9.67475 7.1069 numMergedOcc 0
30 mol 152 unq 5 iso 0 dist 8.56324 6.70283 7.65448 9.35627 9.77552 8.28642 14.437 12.4535 9.84297 6.92726 numMergedOcc 0
31 mol 152 unq 6 iso 0 dist 8.56324 7.16148 10.6875 9.35627 9.77552 13.1536 14.437 12.4535 15.1669 6.92726 numMergedOcc 0
32 mol 152 unq 7 iso 0 dist 6.70283 8.56324 7.65448 9.35627 8.28642 9.77552 14.437 9.84297 12.4535 6.92726 numMergedOcc 0
33 mol 152 unq 8 iso 0 dist 6.70283 7.16148 5.49936 9.35627 8.28642 13.1536 14.437 9.84297 15.1669 6.92726 numMergedOcc 0
34 mol 152 unq 9 iso 0 dist 8.67331 8.05741 5.49936 11.2078 8.28642 13.1536 15.2732 9.84297 15.1669 6.92726 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 9.09754 8.87694 9.50685 9.97575 8.64409 15.9107 17.9507 12.6058 21.5459 8.57801 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 6.00706 7.54212 6.8425 6.42798 7.862 12.5287 6.74196 8.84507 12.8595 7.97027 numMergedOcc 0
37 mol 222 unq 1 iso 0 dist 6.00706 7.54212 6.8425 6.42798 7.862 12.5287 11.4707 8.67203 15.1121 6.81955 numMergedOcc 0
38 mol 222 unq 2 iso 0 dist 6.00706 7.54212 6.8425 6.42798 7.862 12.5287 8.36842 6.02502 12.5866 4.9876 numMergedOcc 0
39 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 10.5813 8.03442 12.2278 5.23634 5.0317 5.83175 9.43618 numMergedOcc 0
40 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 11.0628 8.38865 12.9778 9.91384 4.1511 10.012 5.28771 numMergedOcc 0
41 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 11.0628 8.38865 5.4694 9.91384 4.1511 4.69247 5.28771 numMergedOcc 0
42 mol 227 unq 3 iso 0 dist 7.22101 7.56888 10.8658 11.0628 8.38865 13.9676 9.91384 4.1511 13.4494 5.28771 numMergedOcc 0
43 mol 227 unq 4 iso 0 dist 7.22101 7.55216 12.4689 11.0628 8.38865 16.9219 9.91384 4.1511 15.7786 5.28771 numMergedOcc 0
44 mol 227 unq 5 iso 0 dist 8.65997 9.34734 7.60506 11.0628 5.4694 12.9778 9.91384 4.69247 10.012 5.28771 numMergedOcc 0
45 mol 227 unq 6 iso 0 dist 8.65997 7.22101 5.22356 11.0628 5.4694 8.38865 9.91384 4.69247 4.1511 5.28771 numMergedOcc 0
46 mol 227 unq 7 iso 0 dist 8.65997 7.56888 9.70012 11.0628 5.4694 13.9676 9.91384 4.69247 13.4494 5.28771 numMergedOcc 0
47 mol 227 unq 8 iso 0 dist 8.65997 7.55216 12.9332 11.0628 5.4694 16.9219 9.91384 4.69247 15.7786 5.28771 numMergedOcc 0
48 mol 227 unq 9 iso 0 dist 7.55216 9.34734 9.51866 10.6244 5.87815 13.9889 12.2073 5.73883 9.20614 9.71916 numMergedOcc 0
49 mol 227 unq 10 iso 0 dist 7.55216 7.22101 12.4689 10.6244 5.87815 16.0894 12.2073 5.73883 14.8368 9.71916 numMergedOcc 0
50 mol 227 unq 11 iso 0 dist 7.55216 8.65997 12.9332 10.6244 5.87815 17.8603 12.2073 5.73883 14.5121 9.71916 numMergedOcc 0
51 mol 227 unq 12 iso 0 dist 7.55216 7.56888 4.48529 10.6244 5.87815 10.3595 12.2073 5.73883 5.88379 9.71916 numMergedOcc 0
52 mol 229 unq 0 iso 0 dist 7.03423 9.06952 6.84129 9.62106 8.92743 9.45972 14.0816 11.0437 8.87832 6.42694 numMergedOcc 0
53 mol 229 unq 1 iso 0 dist 7.03423 9.06952 6.84129 9.62106 8.92743 9.45972 16.0361 11.9989 13.1385 7.63917 numMergedOcc 0
54 mol 236 unq 0 iso 0 dist 9.81562 8.03456 7.28249 7.22918 8.50331 11.9847 16.0783 11.5307 18.1246 9.14068 numMergedOcc 0
55 mol 236 unq 1 iso 0 dist 7.68742 6.84306 7.28249 9.05842 8.50331 11.9847 16.07 11.5307 18.1246 9.14068 numMergedOcc 0
56 mol 236 unq 2 iso 0 dist 6.27581 9.99038 7.28249 7.00028 8.50331 11.9847 10.0129 11.5307 18.1246 9.14068 numMergedOcc 0
57 mol 252 unq 0 iso 0 dist 8.1148 8.33025 6.0987 9.32326 6.11473 10.7615 13.1298 5.6214 7.40852 9.39658 numMergedOcc 0
58 mol 252 unq 1 iso 0 dist 8.1148 8.33025 6.0987 5.89666 8.47784 12.0482 10.6424 6.62402 10.8922 8.19529 numMergedOcc 0
59 mol 252 unq 2 iso 0 dist 8.1148 8.33025 6.0987 5.89666 8.47784 12.0482 11.0129 10.2463 14.5242 6.45396 numMergedOcc 0
60 mol 252 unq 3 iso 0 dist 8.1148 8.33025 6.0987 11.056 6.53679 7.50201 13.1298 5.6214 7.40852 5.9974 numMergedOcc 0
61 mol 252 unq 4 iso 0 dist 8.1715 9.2288 6.0987 5.72783 6.11473 10.7615 10.5687 5.6214 7.40852 9.39658 numMergedOcc 0
62 mol 252 unq 5 iso 0 dist 8.1715 9.2288 6.0987 10.672 8.47784 12.0482 14.0636 6.62402 10.8922 8.19529 numMergedOcc 0
63 mol 252 unq 6 iso 0 dist 8.1715 9.2288 6.0987 10.672 8.47784 12.0482 15.7955 10.2463 14.5242 6.45396 numMergedOcc 0
64 mol 252 unq 7 iso 0 dist 8.1715 9.2288 6.0987 5.23748 6.53679 7.50201 10.5687 5.6214 7.40852 5.9974 numMergedOcc 0
65 mol 252 unq 8 iso 0 dist 8.33025 8.1148 6.0987 11.056 7.50201 6.53679 13.1298 7.40852 5.6214 5.9974 numMergedOcc 0
66 mol 252 unq 9 iso 0 dist 9.2288 8.1715 6.0987 5.23748 7.50201 6.53679 10.5687 7.40852 5.6214 5.9974 numMergedOcc 0
