0 mol 7 unq 0 iso 0 dist 6.36911 10.2446 7.45262 6.88805 8.81608 8.0744 10.5461 10.515 5.72491 9.67164 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.36911 10.2446 7.45262 6.88805 8.81608 8.0744 8.41585 6.06176 7.88043 5.99459 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.36911 12.3097 6.96586 6.88805 8.81608 11.7002 8.41585 6.06176 8.80762 5.99459 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.36807 5.44992 7.45262 13.156 8.81608 8.0744 7.10621 10.515 5.72491 9.67164 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 9.36807 5.44992 7.45262 13.156 8.81608 8.0744 12.2333 6.06176 7.88043 5.99459 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 9.36807 4.74523 6.96586 13.156 8.81608 11.7002 12.2333 6.06176 8.80762 5.99459 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 6.33889 11.0722 9.82483 5.84314 9.81658 8.17486 15.1483 13.5628 7.05346 12.8359 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 7.39889 9.3046 5.85818 6.30721 6.55202 6.71103 14.5183 7.36192 7.99857 11.2897 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 7.39889 9.3046 5.85818 6.30721 6.55202 6.71103 16.7981 10.6679 8.56342 12.31 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 7.39889 9.3046 5.85818 14.443 9.08536 6.29394 14.5183 7.36192 7.99857 6.99446 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 7.39889 9.3046 5.85818 14.443 9.08536 6.29394 16.7981 10.6679 8.56342 7.64052 numMergedOcc 0
11 mol 119 unq 4 iso 0 dist 9.63176 4.91132 5.85818 6.9194 6.55202 6.71103 10.3704 7.36192 7.99857 11.2897 numMergedOcc 0
12 mol 119 unq 5 iso 0 dist 9.63176 4.91132 5.85818 6.9194 6.55202 6.71103 8.73993 10.6679 8.56342 12.31 numMergedOcc 0
13 mol 119 unq 6 iso 0 dist 9.63176 4.91132 5.85818 9.68677 9.08536 6.29394 10.3704 7.36192 7.99857 6.99446 numMergedOcc 0
14 mol 119 unq 7 iso 0 dist 9.63176 4.91132 5.85818 9.68677 9.08536 6.29394 8.73993 10.6679 8.56342 7.64052 numMergedOcc 0
15 mol 119 unq 8 iso 0 dist 6.19042 7.61939 9.87025 6.20019 6.13374 6.29394 9.87172 6.35763 7.99857 6.99446 numMergedOcc 0
16 mol 119 unq 9 iso 0 dist 6.19042 7.61939 9.87025 6.20019 6.13374 6.29394 12.6489 10.0197 8.56342 7.64052 numMergedOcc 0
17 mol 119 unq 10 iso 0 dist 7.44174 7.61939 5.85818 12.4621 6.55202 6.71103 9.87172 7.36192 7.99857 11.2897 numMergedOcc 0
18 mol 119 unq 11 iso 0 dist 7.44174 7.61939 5.85818 12.4621 6.55202 6.71103 12.6489 10.6679 8.56342 12.31 numMergedOcc 0
19 mol 119 unq 12 iso 0 dist 7.44174 7.61939 5.85818 6.20019 9.08536 6.29394 9.87172 7.36192 7.99857 6.99446 numMergedOcc 0
20 mol 119 unq 13 iso 0 dist 7.44174 7.61939 5.85818 6.20019 9.08536 6.29394 12.6489 10.6679 8.56342 7.64052 numMergedOcc 0
21 mol 119 unq 14 iso 0 dist 8.43904 10.326 9.87025 4.39676 6.13374 6.29394 10.1813 6.35763 7.99857 6.99446 numMergedOcc 0
22 mol 119 unq 15 iso 0 dist 8.43904 10.326 9.87025 4.39676 6.13374 6.29394 9.72413 10.0197 8.56342 7.64052 numMergedOcc 0
23 mol 130 unq 0 iso 0 dist 6.79146 7.55374 6.42785 4.66904 8.9677 5.77497 13.7544 8.84655 8.33077 13.7122 numMergedOcc 0
24 mol 130 unq 1 iso 0 dist 6.79146 9.44878 6.82089 4.66904 8.9677 12.7192 14.5247 10.3933 9.28592 18.4303 numMergedOcc 0
25 mol 130 unq 2 iso 0 dist 7.66168 11.576 6.42785 11.1455 8.9677 5.77497 13.572 8.84655 8.33077 13.7122 numMergedOcc 0
26 mol 130 unq 3 iso 0 dist 7.66168 4.28797 6.82089 11.1455 8.9677 12.7192 10.3889 10.3933 9.28592 18.4303 numMergedOcc 0
27 mol 130 unq 4 iso 0 dist 6.89257 5.97111 6.42785 7.52422 8.9677 5.77497 8.70949 8.84655 8.33077 13.7122 numMergedOcc 0
28 mol 130 unq 5 iso 0 dist 6.89257 6.97875 6.82089 7.52422 8.9677 12.7192 15.2264 10.3933 9.28592 18.4303 numMergedOcc 0
29 mol 143 unq 0 iso 0 dist 7.31468 6.41287 8.1582 7.63293 7.05845 3.75378 10.6877 6.01455 7.63338 7.36975 numMergedOcc 0
30 mol 143 unq 1 iso 0 dist 7.31468 7.11704 7.88655 7.63293 7.05845 9.30534 10.6877 6.01455 7.25673 7.36975 numMergedOcc 0
31 mol 143 unq 2 iso 0 dist 7.7056 11.488 8.1582 11.903 7.05845 3.75378 12.7524 6.01455 7.63338 7.36975 numMergedOcc 0
32 mol 143 unq 3 iso 0 dist 7.7056 9.53139 7.88655 11.903 7.05845 9.30534 12.7524 6.01455 7.25673 7.36975 numMergedOcc 0
33 mol 175 unq 0 iso 0 dist 9.31887 13.9336 7.01126 5.00913 9.76114 15.0659 19.63 11.1651 7.35824 19.1978 numMergedOcc 0
34 mol 175 unq 1 iso 0 dist 9.31887 11.873 6.58434 5.00913 9.76114 10.6405 19.63 11.1651 9.17364 19.1978 numMergedOcc 0
35 mol 184 unq 0 iso 0 dist 9.52936 8.41716 6.21206 13.8904 7.59939 6.19242 15.173 6.47974 8.77887 6.73504 numMergedOcc 0
36 mol 184 unq 1 iso 0 dist 9.15417 5.72305 6.21206 10.3179 7.59939 6.19242 13.8822 6.47974 8.77887 6.73504 numMergedOcc 0
37 mol 214 unq 0 iso 0 dist 7.46831 5.63388 5.10114 11.1534 8.70987 5.73082 8.85478 6.67959 6.38157 7.46481 numMergedOcc 0
38 mol 214 unq 1 iso 0 dist 8.60247 6.214 5.10114 7.19184 8.70987 5.73082 11.9355 6.67959 6.38157 7.46481 numMergedOcc 0
39 mol 218 unq 0 iso 0 dist 7.17547 10.3246 9.67381 15.6802 8.61306 13.7733 10.9501 7.47048 8.06216 9.24601 numMergedOcc 0
40 mol 218 unq 1 iso 0 dist 7.17547 5.7776 6.61099 15.6802 8.61306 13.0451 10.3145 8.36122 6.29367 11.5084 numMergedOcc 0
41 mol 218 unq 2 iso 0 dist 7.17547 5.7776 6.61099 15.6802 8.61306 13.0451 10.9501 7.47048 5.76954 9.24601 numMergedOcc 0
42 mol 218 unq 3 iso 0 dist 7.17547 5.7776 6.61099 15.6802 8.61306 13.0451 14.7187 12.7963 9.20961 13.6075 numMergedOcc 0
43 mol 218 unq 4 iso 0 dist 7.13323 9.8301 9.67381 13.7327 8.61306 13.7733 12.8943 7.47048 8.06216 9.24601 numMergedOcc 0
44 mol 218 unq 5 iso 0 dist 7.13323 9.97783 6.61099 13.7327 8.61306 13.0451 14.6103 8.36122 6.29367 11.5084 numMergedOcc 0
45 mol 218 unq 6 iso 0 dist 7.13323 9.97783 6.61099 13.7327 8.61306 13.0451 12.8943 7.47048 5.76954 9.24601 numMergedOcc 0
46 mol 218 unq 7 iso 0 dist 7.13323 9.97783 6.61099 13.7327 8.61306 13.0451 18.1262 12.7963 9.20961 13.6075 numMergedOcc 0
47 mol 227 unq 0 iso 0 dist 8.17891 10.5813 7.1372 4.1511 7.79951 11.2819 7.22101 6.43754 8.03442 9.91384 numMergedOcc 0
48 mol 227 unq 1 iso 0 dist 6.95902 7.22396 7.1372 4.69247 7.79951 11.2819 8.65997 6.43754 8.03442 9.91384 numMergedOcc 0
49 mol 238 unq 0 iso 0 dist 5.38637 11.1167 8.6597 13.378 9.38131 4.14399 10.0756 10.4664 5.64181 9.7696 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 5.38637 11.1167 8.6597 13.378 9.38131 4.14399 14.6071 13.3539 7.61393 10.0682 numMergedOcc 0
51 mol 238 unq 2 iso 0 dist 6.55759 7.83352 8.6597 10.4966 9.38131 4.14399 7.31233 10.4664 5.64181 9.7696 numMergedOcc 0
52 mol 238 unq 3 iso 0 dist 6.55759 7.83352 8.6597 10.4966 9.38131 4.14399 13.1583 13.3539 7.61393 10.0682 numMergedOcc 0
53 mol 238 unq 4 iso 0 dist 8.96531 7.69482 7.47235 5.79187 6.85253 4.14399 12.4767 11.2717 5.64181 9.7696 numMergedOcc 0
54 mol 238 unq 5 iso 0 dist 8.96531 7.69482 7.47235 5.79187 6.85253 4.14399 13.6867 14.7509 7.61393 10.0682 numMergedOcc 0
55 mol 238 unq 6 iso 0 dist 7.02475 7.83352 7.47235 10.4966 6.85253 4.14399 7.31233 11.2717 5.64181 9.7696 numMergedOcc 0
56 mol 238 unq 7 iso 0 dist 7.02475 7.83352 7.47235 10.4966 6.85253 4.14399 13.1583 14.7509 7.61393 10.0682 numMergedOcc 0
57 mol 238 unq 8 iso 0 dist 7.67322 11.0349 7.61203 5.71717 7.39547 8.5378 11.5794 11.6239 5.52379 8.63015 numMergedOcc 0
58 mol 238 unq 9 iso 0 dist 7.49471 13.0113 6.89694 12.7938 5.43613 5.63944 11.0896 5.54325 5.52379 6.99888 numMergedOcc 0
59 mol 238 unq 10 iso 0 dist 7.49471 13.0113 6.89694 6.82305 7.24334 8.5378 11.0896 5.54325 5.52379 8.63015 numMergedOcc 0
60 mol 238 unq 11 iso 0 dist 7.49471 10.216 6.44735 12.7938 5.43613 6.94907 6.22714 5.17471 5.64181 9.08509 numMergedOcc 0
61 mol 238 unq 12 iso 0 dist 7.49471 10.216 6.44735 12.7938 5.43613 6.94907 12.6642 10.7999 7.61393 11.9549 numMergedOcc 0
62 mol 238 unq 13 iso 0 dist 7.49471 10.216 6.44735 6.82305 7.24334 11.4389 6.22714 5.17471 5.64181 10.1172 numMergedOcc 0
63 mol 238 unq 14 iso 0 dist 7.49471 10.216 6.44735 6.82305 7.24334 11.4389 12.6642 10.7999 7.61393 16.782 numMergedOcc 0
64 mol 238 unq 15 iso 0 dist 7.19008 11.0349 6.89694 11.0772 5.43613 5.63944 11.5794 5.54325 5.52379 6.99888 numMergedOcc 0
65 mol 238 unq 16 iso 0 dist 7.19008 11.0349 6.89694 5.71717 7.24334 8.5378 11.5794 5.54325 5.52379 8.63015 numMergedOcc 0
66 mol 238 unq 17 iso 0 dist 7.19008 7.83352 6.44735 11.0772 5.43613 6.94907 7.31233 5.17471 5.64181 9.08509 numMergedOcc 0
67 mol 238 unq 18 iso 0 dist 7.19008 7.83352 6.44735 11.0772 5.43613 6.94907 13.1583 10.7999 7.61393 11.9549 numMergedOcc 0
68 mol 238 unq 19 iso 0 dist 7.19008 7.83352 6.44735 5.71717 7.24334 11.4389 7.31233 5.17471 5.64181 10.1172 numMergedOcc 0
69 mol 238 unq 20 iso 0 dist 7.19008 7.83352 6.44735 5.71717 7.24334 11.4389 13.1583 10.7999 7.61393 16.782 numMergedOcc 0
70 mol 248 unq 0 iso 0 dist 6.07192 5.99459 8.53148 4.58289 5.0345 7.14182 7.69895 6.48757 6.17052 9.05018 numMergedOcc 0
71 mol 248 unq 1 iso 0 dist 6.07192 5.99459 8.53148 4.58289 5.0345 7.14182 7.21521 5.51827 9.77666 9.33962 numMergedOcc 0
72 mol 259 unq 0 iso 0 dist 7.48005 5.60748 6.39918 10.282 8.84648 4.67584 7.46176 5.79468 8.55558 11.7465 numMergedOcc 0
73 mol 259 unq 1 iso 0 dist 7.48005 5.60748 6.39918 10.282 8.84648 4.67584 12.0576 5.31048 8.59697 8.03219 numMergedOcc 0
74 mol 259 unq 2 iso 0 dist 7.48005 5.60748 6.39918 10.067 6.23661 7.32929 7.46176 5.79468 8.55558 5.85442 numMergedOcc 0
75 mol 259 unq 3 iso 0 dist 7.48005 5.60748 6.39918 10.067 6.23661 7.32929 12.0576 5.31048 8.59697 6.9899 numMergedOcc 0
76 mol 259 unq 4 iso 0 dist 8.37865 7.31951 6.39918 4.04513 8.84648 4.67584 11.858 5.79468 8.55558 11.7465 numMergedOcc 0
77 mol 259 unq 5 iso 0 dist 8.37865 7.31951 6.39918 4.04513 8.84648 4.67584 5.30224 5.31048 8.59697 8.03219 numMergedOcc 0
78 mol 259 unq 6 iso 0 dist 8.37865 7.31951 6.39918 7.09907 6.23661 7.32929 11.858 5.79468 8.55558 5.85442 numMergedOcc 0
79 mol 259 unq 7 iso 0 dist 8.37865 7.31951 6.39918 7.09907 6.23661 7.32929 5.30224 5.31048 8.59697 6.9899 numMergedOcc 0
