0 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 11.9834 12.7784 16.5181 7.93481 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 11.9834 16.5181 12.7784 7.93481 numMergedOcc 0
2 mol 75 unq 0 iso 0 dist 7.79912 8.56639 5.64643 5.15851 10.0425 11.8774 9.12189 12.5982 16.199 9.48876 numMergedOcc 0
3 mol 75 unq 0 iso 1 dist 8.56639 7.79912 5.64643 5.15851 11.8774 10.0425 9.12189 16.199 12.5982 9.48876 numMergedOcc 0
4 mol 75 unq 1 iso 0 dist 7.79912 8.59017 10.4899 5.15851 10.0425 10.0372 9.12189 12.5982 17.5874 9.48876 numMergedOcc 0
5 mol 75 unq 1 iso 1 dist 8.59017 7.79912 10.4899 5.15851 10.0372 10.0425 9.12189 17.5874 12.5982 9.48876 numMergedOcc 0
6 mol 75 unq 1 iso 0 dist 8.56639 8.59017 7.00674 5.15851 11.8774 10.0372 9.12189 16.199 17.5874 9.48876 numMergedOcc 0
7 mol 75 unq 1 iso 1 dist 8.59017 8.56639 7.00674 5.15851 10.0372 11.8774 9.12189 17.5874 16.199 9.48876 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.47876 7.98917 11.6116 4.18004 10.7271 10.255 8.87194 numMergedOcc 0
9 mol 85 unq 0 iso 1 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 4.18004 10.255 10.7271 8.87194 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 7.22293 7.98917 11.6116 8.42713 10.7271 10.255 8.87194 numMergedOcc 0
11 mol 85 unq 1 iso 1 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 8.42713 10.255 10.7271 8.87194 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 7.47541 5.73196 6.87425 7.22293 7.98917 6.47779 8.42713 10.7271 12.6146 8.87194 numMergedOcc 0
13 mol 85 unq 2 iso 1 dist 5.73196 7.47541 6.87425 7.22293 6.47779 7.98917 8.42713 12.6146 10.7271 8.87194 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 7.66905 5.73196 10.1164 7.22293 11.6116 6.47779 8.42713 10.255 12.6146 8.87194 numMergedOcc 0
15 mol 85 unq 2 iso 1 dist 5.73196 7.66905 10.1164 7.22293 6.47779 11.6116 8.42713 12.6146 10.255 8.87194 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 6.11741 7.88312 7.69052 6.99777 10.8292 11.7126 7.3094 10.9734 5.72642 9.9928 numMergedOcc 0
17 mol 115 unq 0 iso 1 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 7.3094 5.72642 10.9734 9.9928 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 7.11802 8.00618 8.18495 7.92688 4.68409 12.2037 8.6769 12.2715 15.7259 9.4062 numMergedOcc 0
19 mol 133 unq 0 iso 1 dist 8.00618 7.11802 8.18495 7.92688 12.2037 4.68409 8.6769 15.7259 12.2715 9.4062 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 9.0018 7.652 7.42466 9.31887 11.0415 5.0384 13.9336 12.6297 10.1905 7.01126 numMergedOcc 0
21 mol 175 unq 0 iso 1 dist 7.652 9.0018 7.42466 9.31887 5.0384 11.0415 13.9336 10.1905 12.6297 7.01126 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 9.0018 7.652 7.42466 9.31887 11.0415 5.0384 11.873 15.2721 11.1503 6.58434 numMergedOcc 0
23 mol 175 unq 1 iso 1 dist 7.652 9.0018 7.42466 9.31887 5.0384 11.0415 11.873 11.1503 15.2721 6.58434 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 5.98885 9.09537 10.1912 7.20046 5.4601 6.14208 5.93488 6.51749 7.20392 7.345 numMergedOcc 0
25 mol 181 unq 0 iso 1 dist 9.09537 5.98885 10.1912 7.20046 6.14208 5.4601 5.93488 7.20392 6.51749 7.345 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 5.98885 9.09537 10.1912 7.13543 10.0524 5.95965 5.93488 6.51749 7.20392 9.52987 numMergedOcc 0
27 mol 181 unq 1 iso 1 dist 9.09537 5.98885 10.1912 7.13543 5.95965 10.0524 5.93488 7.20392 6.51749 9.52987 numMergedOcc 0
28 mol 181 unq 2 iso 0 dist 7.81386 7.63312 8.85576 7.98142 9.53462 9.60512 9.92777 14.3453 11.6558 5.49808 numMergedOcc 0
29 mol 181 unq 2 iso 1 dist 7.63312 7.81386 8.85576 7.98142 9.60512 9.53462 9.92777 11.6558 14.3453 5.49808 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 7.81386 7.63312 8.85576 7.37327 11.1462 13.3389 9.92777 14.3453 11.6558 7.96291 numMergedOcc 0
31 mol 181 unq 3 iso 1 dist 7.63312 7.81386 8.85576 7.37327 13.3389 11.1462 9.92777 11.6558 14.3453 7.96291 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 9.19704 8.66809 6.23291 5.54129 10.8209 10.0424 9.83885 numMergedOcc 0
33 mol 205 unq 0 iso 1 dist 7.26832 6.03031 7.38516 9.19704 6.23291 8.66809 5.54129 10.0424 10.8209 9.83885 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 6.03031 7.26832 7.38516 9.19704 8.66809 6.23291 5.28092 8.44861 5.60393 5.42696 numMergedOcc 0
35 mol 205 unq 1 iso 1 dist 7.26832 6.03031 7.38516 9.19704 6.23291 8.66809 5.28092 5.60393 8.44861 5.42696 numMergedOcc 0
36 mol 205 unq 2 iso 0 dist 6.03031 7.80463 8.18714 9.19704 8.66809 13.231 5.54129 10.8209 10.03 9.83885 numMergedOcc 0
37 mol 205 unq 2 iso 1 dist 7.80463 6.03031 8.18714 9.19704 13.231 8.66809 5.54129 10.03 10.8209 9.83885 numMergedOcc 0
38 mol 205 unq 3 iso 0 dist 6.03031 7.80463 8.18714 9.19704 8.66809 13.231 5.28092 8.44861 11.3521 5.42696 numMergedOcc 0
39 mol 205 unq 3 iso 1 dist 7.80463 6.03031 8.18714 9.19704 13.231 8.66809 5.28092 11.3521 8.44861 5.42696 numMergedOcc 0
40 mol 205 unq 2 iso 0 dist 7.26832 7.80463 13.8543 9.19704 6.23291 13.231 5.54129 10.0424 10.03 9.83885 numMergedOcc 0
41 mol 205 unq 2 iso 1 dist 7.80463 7.26832 13.8543 9.19704 13.231 6.23291 5.54129 10.03 10.0424 9.83885 numMergedOcc 0
42 mol 205 unq 3 iso 0 dist 7.26832 7.80463 13.8543 9.19704 6.23291 13.231 5.28092 5.60393 11.3521 5.42696 numMergedOcc 0
43 mol 205 unq 3 iso 1 dist 7.80463 7.26832 13.8543 9.19704 13.231 6.23291 5.28092 11.3521 5.60393 5.42696 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 10.5813 8.03442 12.2278 7.1372 numMergedOcc 0
45 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 8.17891 9.13836 6.43754 10.5813 12.2278 8.03442 7.1372 numMergedOcc 0
46 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 6.07192 6.48757 5.51827 5.99459 6.17052 9.77666 8.53148 numMergedOcc 0
47 mol 248 unq 0 iso 1 dist 7.21521 7.69895 5.55137 6.07192 5.51827 6.48757 5.99459 9.77666 6.17052 8.53148 numMergedOcc 0
48 mol 248 unq 1 iso 0 dist 7.69895 8.2965 10.8081 6.07192 6.48757 9.29921 5.99459 6.17052 13.0539 8.53148 numMergedOcc 0
49 mol 248 unq 1 iso 1 dist 8.2965 7.69895 10.8081 6.07192 9.29921 6.48757 5.99459 13.0539 6.17052 8.53148 numMergedOcc 0
50 mol 248 unq 1 iso 0 dist 7.21521 8.2965 5.86196 6.07192 5.51827 9.29921 5.99459 9.77666 13.0539 8.53148 numMergedOcc 0
51 mol 248 unq 1 iso 1 dist 8.2965 7.21521 5.86196 6.07192 9.29921 5.51827 5.99459 13.0539 9.77666 8.53148 numMergedOcc 0
52 mol 252 unq 0 iso 0 dist 8.1148 8.33025 6.0987 7.66365 4.23801 9.37715 9.32326 6.11473 10.7615 6.57207 numMergedOcc 0
53 mol 252 unq 0 iso 1 dist 8.33025 8.1148 6.0987 7.66365 9.37715 4.23801 9.32326 10.7615 6.11473 6.57207 numMergedOcc 0
54 mol 252 unq 1 iso 0 dist 8.1148 8.33025 6.0987 7.66365 4.23801 9.37715 5.89666 8.47784 12.0482 5.2361 numMergedOcc 0
55 mol 252 unq 1 iso 1 dist 8.33025 8.1148 6.0987 7.66365 9.37715 4.23801 5.89666 12.0482 8.47784 5.2361 numMergedOcc 0
56 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 5.60748 10.5803 12.4037 6.39918 numMergedOcc 0
57 mol 259 unq 0 iso 1 dist 7.84554 7.88519 4.86771 7.48005 11.8736 11.6195 5.60748 12.4037 10.5803 6.39918 numMergedOcc 0
58 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 5.60748 10.5803 8.55558 6.39918 numMergedOcc 0
59 mol 259 unq 1 iso 1 dist 7.46176 7.88519 6.96053 7.48005 5.79468 11.6195 5.60748 8.55558 10.5803 6.39918 numMergedOcc 0
60 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 5.60748 10.5803 14.4498 6.39918 numMergedOcc 0
61 mol 259 unq 2 iso 1 dist 9.18903 7.88519 10.4881 7.48005 12.6649 11.6195 5.60748 14.4498 10.5803 6.39918 numMergedOcc 0
62 mol 259 unq 1 iso 0 dist 7.84554 7.46176 7.64658 7.48005 11.8736 5.79468 5.60748 12.4037 8.55558 6.39918 numMergedOcc 0
63 mol 259 unq 1 iso 1 dist 7.46176 7.84554 7.64658 7.48005 5.79468 11.8736 5.60748 8.55558 12.4037 6.39918 numMergedOcc 0
64 mol 259 unq 2 iso 0 dist 7.84554 9.18903 5.87173 7.48005 11.8736 12.6649 5.60748 12.4037 14.4498 6.39918 numMergedOcc 0
65 mol 259 unq 2 iso 1 dist 9.18903 7.84554 5.87173 7.48005 12.6649 11.8736 5.60748 14.4498 12.4037 6.39918 numMergedOcc 0
66 mol 259 unq 2 iso 0 dist 7.46176 9.18903 10.5239 7.48005 5.79468 12.6649 5.60748 8.55558 14.4498 6.39918 numMergedOcc 0
67 mol 259 unq 2 iso 1 dist 9.18903 7.46176 10.5239 7.48005 12.6649 5.79468 5.60748 14.4498 8.55558 6.39918 numMergedOcc 0
68 mol 261 unq 0 iso 0 dist 9.14619 8.45658 7.00201 7.47164 7.49174 5.22253 6.04016 5.26434 8.60026 9.24121 numMergedOcc 0
69 mol 261 unq 0 iso 1 dist 8.45658 9.14619 7.00201 7.47164 5.22253 7.49174 6.04016 8.60026 5.26434 9.24121 numMergedOcc 0
70 mol 264 unq 0 iso 0 dist 9.361 6.24356 10.3202 9.5784 9.85579 9.67998 8.45726 13.6446 11.0622 6.5422 numMergedOcc 0
71 mol 264 unq 0 iso 1 dist 6.24356 9.361 10.3202 9.5784 9.67998 9.85579 8.45726 11.0622 13.6446 6.5422 numMergedOcc 0
72 mol 272 unq 0 iso 0 dist 9.97651 8.46116 8.12676 6.16449 4.72202 8.52877 4.86504 9.64269 8.46061 7.55161 numMergedOcc 0
73 mol 272 unq 0 iso 1 dist 8.46116 9.97651 8.12676 6.16449 8.52877 4.72202 4.86504 8.46061 9.64269 7.55161 numMergedOcc 0
