0 mol 19 unq 0 iso 0 dist 9.80108 9.32205 8.19695 4.96411 7.02548 6.60936 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 9.80108 4.96411 7.02548 9.32205 8.19695 6.60936 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.00439 4.42145 9.85134 6.42867 5.82366 10.4685 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 6.00439 6.42867 5.82366 4.42145 9.85134 10.4685 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 6.20943 10.943 9.85134 4.64838 5.82366 10.4685 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 6.20943 4.64838 5.82366 10.943 9.85134 10.4685 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 7.82528 15.119 9.85134 4.97119 5.82366 10.4685 numMergedOcc 0
7 mol 19 unq 3 iso 1 dist 7.82528 4.97119 5.82366 15.119 9.85134 10.4685 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 8.58657 13.0631 8.19695 7.08342 7.02548 6.60936 numMergedOcc 0
9 mol 19 unq 4 iso 1 dist 8.58657 7.08342 7.02548 13.0631 8.19695 6.60936 numMergedOcc 0
10 mol 27 unq 0 iso 0 dist 9.77484 6.65855 8.71752 14.3929 7.60283 9.51391 numMergedOcc 0
11 mol 27 unq 0 iso 1 dist 9.77484 14.3929 7.60283 6.65855 8.71752 9.51391 numMergedOcc 0
12 mol 45 unq 0 iso 0 dist 6.99408 8.26635 7.21995 13.4503 9.62637 5.69343 numMergedOcc 0
13 mol 45 unq 0 iso 1 dist 6.99408 13.4503 9.62637 8.26635 7.21995 5.69343 numMergedOcc 0
14 mol 45 unq 1 iso 0 dist 9.3403 5.05051 7.21995 10.6148 9.62637 5.69343 numMergedOcc 0
15 mol 45 unq 1 iso 1 dist 9.3403 10.6148 9.62637 5.05051 7.21995 5.69343 numMergedOcc 0
16 mol 59 unq 0 iso 0 dist 6.23899 11.1914 9.43355 6.435 7.9327 15.8093 numMergedOcc 0
17 mol 59 unq 0 iso 1 dist 6.23899 6.435 7.9327 11.1914 9.43355 15.8093 numMergedOcc 0
18 mol 87 unq 0 iso 0 dist 7.51358 5.95671 7.2268 4.33593 9.69219 5.17492 numMergedOcc 0
19 mol 87 unq 0 iso 1 dist 7.51358 4.33593 9.69219 5.95671 7.2268 5.17492 numMergedOcc 0
20 mol 87 unq 1 iso 0 dist 8.93296 9.9869 9.28624 5.95671 8.31175 6.04216 numMergedOcc 0
21 mol 87 unq 1 iso 1 dist 8.93296 5.95671 8.31175 9.9869 9.28624 6.04216 numMergedOcc 0
22 mol 87 unq 2 iso 0 dist 8.32298 7.93998 7.2268 6.09884 9.69219 5.17492 numMergedOcc 0
23 mol 87 unq 2 iso 1 dist 8.32298 6.09884 9.69219 7.93998 7.2268 5.17492 numMergedOcc 0
24 mol 92 unq 0 iso 0 dist 5.81965 8.55834 7.1539 9.50382 5.39745 6.34272 numMergedOcc 0
25 mol 92 unq 0 iso 1 dist 5.81965 9.50382 5.39745 8.55834 7.1539 6.34272 numMergedOcc 0
26 mol 92 unq 1 iso 0 dist 7.06013 8.51055 7.1539 11.3858 5.39745 6.34272 numMergedOcc 0
27 mol 92 unq 1 iso 1 dist 7.06013 11.3858 5.39745 8.51055 7.1539 6.34272 numMergedOcc 0
28 mol 92 unq 2 iso 0 dist 9.70512 7.76866 7.1539 7.56363 5.39745 6.34272 numMergedOcc 0
29 mol 92 unq 2 iso 1 dist 9.70512 7.56363 5.39745 7.76866 7.1539 6.34272 numMergedOcc 0
30 mol 126 unq 0 iso 0 dist 7.75534 6.0268 7.36017 8.01268 5.14819 6.71205 numMergedOcc 0
31 mol 126 unq 0 iso 1 dist 7.75534 8.01268 5.14819 6.0268 7.36017 6.71205 numMergedOcc 0
32 mol 126 unq 1 iso 0 dist 7.75534 6.0268 7.36017 10.2072 6.84245 10.7821 numMergedOcc 0
33 mol 126 unq 1 iso 1 dist 7.75534 10.2072 6.84245 6.0268 7.36017 10.7821 numMergedOcc 0
34 mol 126 unq 1 iso 0 dist 7.75534 8.01268 5.14819 10.2072 6.84245 4.32209 numMergedOcc 0
35 mol 126 unq 1 iso 1 dist 7.75534 10.2072 6.84245 8.01268 5.14819 4.32209 numMergedOcc 0
36 mol 126 unq 2 iso 0 dist 9.06011 10.1326 7.36017 6.51507 5.14819 6.71205 numMergedOcc 0
37 mol 126 unq 2 iso 1 dist 9.06011 6.51507 5.14819 10.1326 7.36017 6.71205 numMergedOcc 0
38 mol 126 unq 3 iso 0 dist 9.06011 10.1326 7.36017 5.78149 6.84245 10.7821 numMergedOcc 0
39 mol 126 unq 3 iso 1 dist 9.06011 5.78149 6.84245 10.1326 7.36017 10.7821 numMergedOcc 0
40 mol 126 unq 3 iso 0 dist 9.06011 6.51507 5.14819 5.78149 6.84245 4.32209 numMergedOcc 0
41 mol 126 unq 3 iso 1 dist 9.06011 5.78149 6.84245 6.51507 5.14819 4.32209 numMergedOcc 0
42 mol 133 unq 0 iso 0 dist 7.92688 5.92062 6.51868 6.61891 7.34698 7.33253 numMergedOcc 0
43 mol 133 unq 0 iso 1 dist 7.92688 6.61891 7.34698 5.92062 6.51868 7.33253 numMergedOcc 0
44 mol 141 unq 0 iso 0 dist 6.93652 7.42649 5.26989 10.6531 7.76442 6.55489 numMergedOcc 0
45 mol 141 unq 0 iso 1 dist 6.93652 10.6531 7.76442 7.42649 5.26989 6.55489 numMergedOcc 0
46 mol 141 unq 1 iso 0 dist 9.54444 8.39549 5.26989 8.43221 7.76442 6.55489 numMergedOcc 0
47 mol 141 unq 1 iso 1 dist 9.54444 8.43221 7.76442 8.39549 5.26989 6.55489 numMergedOcc 0
48 mol 155 unq 0 iso 0 dist 9.86313 11.0769 9.80845 10.4923 7.55196 6.56063 numMergedOcc 0
49 mol 155 unq 0 iso 1 dist 9.86313 10.4923 7.55196 11.0769 9.80845 6.56063 numMergedOcc 0
50 mol 155 unq 1 iso 0 dist 7.51198 5.50031 9.80845 6.89781 7.55196 6.56063 numMergedOcc 0
51 mol 155 unq 1 iso 1 dist 7.51198 6.89781 7.55196 5.50031 9.80845 6.56063 numMergedOcc 0
52 mol 173 unq 0 iso 0 dist 7.93331 6.14414 8.41245 4.72839 6.64779 7.69792 numMergedOcc 0
53 mol 173 unq 0 iso 1 dist 7.93331 4.72839 6.64779 6.14414 8.41245 7.69792 numMergedOcc 0
54 mol 173 unq 1 iso 0 dist 6.98095 5.27321 8.41245 8.07089 6.64779 7.69792 numMergedOcc 0
55 mol 173 unq 1 iso 1 dist 6.98095 8.07089 6.64779 5.27321 8.41245 7.69792 numMergedOcc 0
56 mol 173 unq 2 iso 0 dist 8.31897 10.8609 8.41245 5.70743 6.64779 7.69792 numMergedOcc 0
57 mol 173 unq 2 iso 1 dist 8.31897 5.70743 6.64779 10.8609 8.41245 7.69792 numMergedOcc 0
58 mol 175 unq 0 iso 0 dist 9.8589 8.29015 5.4997 14.7282 6.99693 6.75531 numMergedOcc 0
59 mol 175 unq 0 iso 1 dist 9.8589 14.7282 6.99693 8.29015 5.4997 6.75531 numMergedOcc 0
60 mol 175 unq 1 iso 0 dist 7.24908 4.63177 5.4997 9.30597 6.99693 6.75531 numMergedOcc 0
61 mol 175 unq 1 iso 1 dist 7.24908 9.30597 6.99693 4.63177 5.4997 6.75531 numMergedOcc 0
62 mol 234 unq 0 iso 0 dist 9.39181 5.08515 7.94068 12.6661 7.22019 9.00021 numMergedOcc 0
63 mol 234 unq 0 iso 1 dist 9.39181 12.6661 7.22019 5.08515 7.94068 9.00021 numMergedOcc 0
64 mol 238 unq 0 iso 0 dist 6.05141 10.7081 8.09718 5.50308 6.73446 6.25098 numMergedOcc 0
65 mol 238 unq 0 iso 1 dist 6.05141 5.50308 6.73446 10.7081 8.09718 6.25098 numMergedOcc 0
66 mol 238 unq 1 iso 0 dist 8.14172 12.2874 8.90076 7.11984 6.62002 6.25098 numMergedOcc 0
67 mol 238 unq 1 iso 1 dist 8.14172 7.11984 6.62002 12.2874 8.90076 6.25098 numMergedOcc 0
68 mol 238 unq 2 iso 0 dist 8.09066 12.2874 8.09718 7.11984 6.73446 6.25098 numMergedOcc 0
69 mol 238 unq 2 iso 1 dist 8.09066 7.11984 6.73446 12.2874 8.09718 6.25098 numMergedOcc 0
70 mol 238 unq 3 iso 0 dist 6.77463 10.4017 8.90076 7.95232 6.62002 6.25098 numMergedOcc 0
71 mol 238 unq 3 iso 1 dist 6.77463 7.95232 6.62002 10.4017 8.90076 6.25098 numMergedOcc 0
72 mol 238 unq 4 iso 0 dist 7.2766 10.4017 8.09718 7.95232 6.73446 6.25098 numMergedOcc 0
73 mol 238 unq 4 iso 1 dist 7.2766 7.95232 6.73446 10.4017 8.09718 6.25098 numMergedOcc 0
74 mol 256 unq 0 iso 0 dist 5.24676 5.28793 7.48269 4.99672 6.71249 6.10011 numMergedOcc 0
75 mol 256 unq 0 iso 1 dist 5.24676 4.99672 6.71249 5.28793 7.48269 6.10011 numMergedOcc 0
76 mol 256 unq 1 iso 0 dist 5.24676 5.28793 7.48269 7.7384 9.18903 12.5562 numMergedOcc 0
77 mol 256 unq 1 iso 1 dist 5.24676 7.7384 9.18903 5.28793 7.48269 12.5562 numMergedOcc 0
78 mol 256 unq 1 iso 0 dist 5.24676 4.99672 6.71249 7.7384 9.18903 8.13145 numMergedOcc 0
79 mol 256 unq 1 iso 1 dist 5.24676 7.7384 9.18903 4.99672 6.71249 8.13145 numMergedOcc 0
80 mol 256 unq 2 iso 0 dist 8.09363 10.134 7.48269 5.94495 6.71249 6.10011 numMergedOcc 0
81 mol 256 unq 2 iso 1 dist 8.09363 5.94495 6.71249 10.134 7.48269 6.10011 numMergedOcc 0
82 mol 256 unq 3 iso 0 dist 8.09363 10.134 7.48269 11.0837 9.18903 12.5562 numMergedOcc 0
83 mol 256 unq 3 iso 1 dist 8.09363 11.0837 9.18903 10.134 7.48269 12.5562 numMergedOcc 0
84 mol 256 unq 3 iso 0 dist 8.09363 5.94495 6.71249 11.0837 9.18903 8.13145 numMergedOcc 0
85 mol 256 unq 3 iso 1 dist 8.09363 11.0837 9.18903 5.94495 6.71249 8.13145 numMergedOcc 0
