0 mol 19 unq 0 iso 0 dist 9.80108 7.07775 8.58657 9.32205 8.19695 13.0631 4.96411 7.02548 7.08342 6.60936 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 9.80108 7.07775 8.58657 4.96411 7.02548 7.08342 9.32205 8.19695 13.0631 6.60936 numMergedOcc 0
2 mol 19 unq 0 iso 2 dist 8.58657 7.07775 9.80108 13.0631 8.19695 9.32205 7.08342 7.02548 4.96411 6.60936 numMergedOcc 0
3 mol 19 unq 0 iso 3 dist 8.58657 7.07775 9.80108 7.08342 7.02548 4.96411 13.0631 8.19695 9.32205 6.60936 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 6.00439 7.83352 6.20943 4.42145 9.85134 10.943 6.42867 5.82366 4.64838 10.4685 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 6.00439 7.83352 6.20943 6.42867 5.82366 4.64838 4.42145 9.85134 10.943 10.4685 numMergedOcc 0
6 mol 19 unq 1 iso 2 dist 6.20943 7.83352 6.00439 10.943 9.85134 4.42145 4.64838 5.82366 6.42867 10.4685 numMergedOcc 0
7 mol 19 unq 1 iso 3 dist 6.20943 7.83352 6.00439 4.64838 5.82366 6.42867 10.943 9.85134 4.42145 10.4685 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 6.00439 10.8007 7.82528 4.42145 9.85134 15.119 6.42867 5.82366 4.97119 10.4685 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 6.00439 10.8007 7.82528 6.42867 5.82366 4.97119 4.42145 9.85134 15.119 10.4685 numMergedOcc 0
10 mol 19 unq 2 iso 2 dist 7.82528 10.8007 6.00439 15.119 9.85134 4.42145 4.97119 5.82366 6.42867 10.4685 numMergedOcc 0
11 mol 19 unq 2 iso 3 dist 7.82528 10.8007 6.00439 4.97119 5.82366 6.42867 15.119 9.85134 4.42145 10.4685 numMergedOcc 0
12 mol 19 unq 2 iso 0 dist 6.20943 7.67038 7.82528 10.943 9.85134 15.119 4.64838 5.82366 4.97119 10.4685 numMergedOcc 0
13 mol 19 unq 2 iso 1 dist 6.20943 7.67038 7.82528 4.64838 5.82366 4.97119 10.943 9.85134 15.119 10.4685 numMergedOcc 0
14 mol 19 unq 2 iso 2 dist 7.82528 7.67038 6.20943 15.119 9.85134 10.943 4.97119 5.82366 4.64838 10.4685 numMergedOcc 0
15 mol 19 unq 2 iso 3 dist 7.82528 7.67038 6.20943 4.97119 5.82366 4.64838 15.119 9.85134 10.943 10.4685 numMergedOcc 0
16 mol 45 unq 0 iso 0 dist 6.99408 6.11102 9.3403 8.26635 7.21995 5.05051 13.4503 9.62637 10.6148 5.69343 numMergedOcc 0
17 mol 45 unq 0 iso 1 dist 6.99408 6.11102 9.3403 13.4503 9.62637 10.6148 8.26635 7.21995 5.05051 5.69343 numMergedOcc 0
18 mol 45 unq 0 iso 2 dist 9.3403 6.11102 6.99408 5.05051 7.21995 8.26635 10.6148 9.62637 13.4503 5.69343 numMergedOcc 0
19 mol 45 unq 0 iso 3 dist 9.3403 6.11102 6.99408 10.6148 9.62637 13.4503 5.05051 7.21995 8.26635 5.69343 numMergedOcc 0
20 mol 87 unq 0 iso 0 dist 7.51358 7.40574 8.32298 5.95671 7.2268 7.93998 4.33593 9.69219 6.09884 5.17492 numMergedOcc 0
21 mol 87 unq 0 iso 1 dist 7.51358 7.40574 8.32298 4.33593 9.69219 6.09884 5.95671 7.2268 7.93998 5.17492 numMergedOcc 0
22 mol 87 unq 0 iso 2 dist 8.32298 7.40574 7.51358 7.93998 7.2268 5.95671 6.09884 9.69219 4.33593 5.17492 numMergedOcc 0
23 mol 87 unq 0 iso 3 dist 8.32298 7.40574 7.51358 6.09884 9.69219 4.33593 7.93998 7.2268 5.95671 5.17492 numMergedOcc 0
24 mol 92 unq 0 iso 0 dist 5.81965 5.02055 7.06013 8.55834 7.1539 8.51055 9.50382 5.39745 11.3858 6.34272 numMergedOcc 0
25 mol 92 unq 0 iso 1 dist 5.81965 5.02055 7.06013 9.50382 5.39745 11.3858 8.55834 7.1539 8.51055 6.34272 numMergedOcc 0
26 mol 92 unq 0 iso 2 dist 7.06013 5.02055 5.81965 8.51055 7.1539 8.55834 11.3858 5.39745 9.50382 6.34272 numMergedOcc 0
27 mol 92 unq 0 iso 3 dist 7.06013 5.02055 5.81965 11.3858 5.39745 9.50382 8.51055 7.1539 8.55834 6.34272 numMergedOcc 0
28 mol 92 unq 1 iso 0 dist 5.81965 8.95922 9.70512 8.55834 7.1539 7.76866 9.50382 5.39745 7.56363 6.34272 numMergedOcc 0
29 mol 92 unq 1 iso 1 dist 5.81965 8.95922 9.70512 9.50382 5.39745 7.56363 8.55834 7.1539 7.76866 6.34272 numMergedOcc 0
30 mol 92 unq 1 iso 2 dist 9.70512 8.95922 5.81965 7.76866 7.1539 8.55834 7.56363 5.39745 9.50382 6.34272 numMergedOcc 0
31 mol 92 unq 1 iso 3 dist 9.70512 8.95922 5.81965 7.56363 5.39745 9.50382 7.76866 7.1539 8.55834 6.34272 numMergedOcc 0
32 mol 92 unq 1 iso 0 dist 7.06013 12.4494 9.70512 8.51055 7.1539 7.76866 11.3858 5.39745 7.56363 6.34272 numMergedOcc 0
33 mol 92 unq 1 iso 1 dist 7.06013 12.4494 9.70512 11.3858 5.39745 7.56363 8.51055 7.1539 7.76866 6.34272 numMergedOcc 0
34 mol 92 unq 1 iso 2 dist 9.70512 12.4494 7.06013 7.76866 7.1539 8.51055 7.56363 5.39745 11.3858 6.34272 numMergedOcc 0
35 mol 92 unq 1 iso 3 dist 9.70512 12.4494 7.06013 7.56363 5.39745 11.3858 7.76866 7.1539 8.51055 6.34272 numMergedOcc 0
36 mol 126 unq 0 iso 0 dist 7.75534 7.12167 9.06011 6.0268 7.36017 10.1326 8.01268 5.14819 6.51507 6.71205 numMergedOcc 0
37 mol 126 unq 0 iso 1 dist 7.75534 7.12167 9.06011 8.01268 5.14819 6.51507 6.0268 7.36017 10.1326 6.71205 numMergedOcc 0
38 mol 126 unq 0 iso 2 dist 9.06011 7.12167 7.75534 10.1326 7.36017 6.0268 6.51507 5.14819 8.01268 6.71205 numMergedOcc 0
39 mol 126 unq 0 iso 3 dist 9.06011 7.12167 7.75534 6.51507 5.14819 8.01268 10.1326 7.36017 6.0268 6.71205 numMergedOcc 0
40 mol 126 unq 1 iso 0 dist 7.75534 7.12167 9.06011 6.0268 7.36017 10.1326 10.2072 6.84245 5.78149 10.7821 numMergedOcc 0
41 mol 126 unq 1 iso 1 dist 7.75534 7.12167 9.06011 10.2072 6.84245 5.78149 6.0268 7.36017 10.1326 10.7821 numMergedOcc 0
42 mol 126 unq 1 iso 2 dist 9.06011 7.12167 7.75534 10.1326 7.36017 6.0268 5.78149 6.84245 10.2072 10.7821 numMergedOcc 0
43 mol 126 unq 1 iso 3 dist 9.06011 7.12167 7.75534 5.78149 6.84245 10.2072 10.1326 7.36017 6.0268 10.7821 numMergedOcc 0
44 mol 126 unq 1 iso 0 dist 7.75534 7.12167 9.06011 8.01268 5.14819 6.51507 10.2072 6.84245 5.78149 4.32209 numMergedOcc 0
45 mol 126 unq 1 iso 1 dist 7.75534 7.12167 9.06011 10.2072 6.84245 5.78149 8.01268 5.14819 6.51507 4.32209 numMergedOcc 0
46 mol 126 unq 1 iso 2 dist 9.06011 7.12167 7.75534 6.51507 5.14819 8.01268 5.78149 6.84245 10.2072 4.32209 numMergedOcc 0
47 mol 126 unq 1 iso 3 dist 9.06011 7.12167 7.75534 5.78149 6.84245 10.2072 6.51507 5.14819 8.01268 4.32209 numMergedOcc 0
48 mol 141 unq 0 iso 0 dist 6.93652 5.67306 9.54444 7.42649 5.26989 8.39549 10.6531 7.76442 8.43221 6.55489 numMergedOcc 0
49 mol 141 unq 0 iso 1 dist 6.93652 5.67306 9.54444 10.6531 7.76442 8.43221 7.42649 5.26989 8.39549 6.55489 numMergedOcc 0
50 mol 141 unq 0 iso 2 dist 9.54444 5.67306 6.93652 8.39549 5.26989 7.42649 8.43221 7.76442 10.6531 6.55489 numMergedOcc 0
51 mol 141 unq 0 iso 3 dist 9.54444 5.67306 6.93652 8.43221 7.76442 10.6531 8.39549 5.26989 7.42649 6.55489 numMergedOcc 0
52 mol 155 unq 0 iso 0 dist 9.86313 5.71071 7.51198 11.0769 9.80845 5.50031 10.4923 7.55196 6.89781 6.56063 numMergedOcc 0
53 mol 155 unq 0 iso 1 dist 9.86313 5.71071 7.51198 10.4923 7.55196 6.89781 11.0769 9.80845 5.50031 6.56063 numMergedOcc 0
54 mol 155 unq 0 iso 2 dist 7.51198 5.71071 9.86313 5.50031 9.80845 11.0769 6.89781 7.55196 10.4923 6.56063 numMergedOcc 0
55 mol 155 unq 0 iso 3 dist 7.51198 5.71071 9.86313 6.89781 7.55196 10.4923 5.50031 9.80845 11.0769 6.56063 numMergedOcc 0
56 mol 173 unq 0 iso 0 dist 7.93331 4.83994 6.98095 6.14414 8.41245 5.27321 4.72839 6.64779 8.07089 7.69792 numMergedOcc 0
57 mol 173 unq 0 iso 1 dist 7.93331 4.83994 6.98095 4.72839 6.64779 8.07089 6.14414 8.41245 5.27321 7.69792 numMergedOcc 0
58 mol 173 unq 0 iso 2 dist 6.98095 4.83994 7.93331 5.27321 8.41245 6.14414 8.07089 6.64779 4.72839 7.69792 numMergedOcc 0
59 mol 173 unq 0 iso 3 dist 6.98095 4.83994 7.93331 8.07089 6.64779 4.72839 5.27321 8.41245 6.14414 7.69792 numMergedOcc 0
60 mol 173 unq 1 iso 0 dist 7.93331 5.16343 8.31897 6.14414 8.41245 10.8609 4.72839 6.64779 5.70743 7.69792 numMergedOcc 0
61 mol 173 unq 1 iso 1 dist 7.93331 5.16343 8.31897 4.72839 6.64779 5.70743 6.14414 8.41245 10.8609 7.69792 numMergedOcc 0
62 mol 173 unq 1 iso 2 dist 8.31897 5.16343 7.93331 10.8609 8.41245 6.14414 5.70743 6.64779 4.72839 7.69792 numMergedOcc 0
63 mol 173 unq 1 iso 3 dist 8.31897 5.16343 7.93331 5.70743 6.64779 4.72839 10.8609 8.41245 6.14414 7.69792 numMergedOcc 0
64 mol 173 unq 1 iso 0 dist 6.98095 8.17887 8.31897 5.27321 8.41245 10.8609 8.07089 6.64779 5.70743 7.69792 numMergedOcc 0
65 mol 173 unq 1 iso 1 dist 6.98095 8.17887 8.31897 8.07089 6.64779 5.70743 5.27321 8.41245 10.8609 7.69792 numMergedOcc 0
66 mol 173 unq 1 iso 2 dist 8.31897 8.17887 6.98095 10.8609 8.41245 5.27321 5.70743 6.64779 8.07089 7.69792 numMergedOcc 0
67 mol 173 unq 1 iso 3 dist 8.31897 8.17887 6.98095 5.70743 6.64779 8.07089 10.8609 8.41245 5.27321 7.69792 numMergedOcc 0
68 mol 175 unq 0 iso 0 dist 9.8589 7.42466 7.24908 8.29015 5.4997 4.63177 14.7282 6.99693 9.30597 6.75531 numMergedOcc 0
69 mol 175 unq 0 iso 1 dist 9.8589 7.42466 7.24908 14.7282 6.99693 9.30597 8.29015 5.4997 4.63177 6.75531 numMergedOcc 0
70 mol 175 unq 0 iso 2 dist 7.24908 7.42466 9.8589 4.63177 5.4997 8.29015 9.30597 6.99693 14.7282 6.75531 numMergedOcc 0
71 mol 175 unq 0 iso 3 dist 7.24908 7.42466 9.8589 9.30597 6.99693 14.7282 4.63177 5.4997 8.29015 6.75531 numMergedOcc 0
72 mol 238 unq 0 iso 0 dist 6.05141 5.6348 8.09066 10.7081 8.09718 12.2874 5.50308 6.73446 7.11984 6.25098 numMergedOcc 0
73 mol 238 unq 0 iso 1 dist 6.05141 5.6348 8.09066 5.50308 6.73446 7.11984 10.7081 8.09718 12.2874 6.25098 numMergedOcc 0
74 mol 238 unq 0 iso 2 dist 8.09066 5.6348 6.05141 12.2874 8.09718 10.7081 7.11984 6.73446 5.50308 6.25098 numMergedOcc 0
75 mol 238 unq 0 iso 3 dist 8.09066 5.6348 6.05141 7.11984 6.73446 5.50308 12.2874 8.09718 10.7081 6.25098 numMergedOcc 0
76 mol 238 unq 1 iso 0 dist 6.05141 8.87326 7.2766 10.7081 8.09718 10.4017 5.50308 6.73446 7.95232 6.25098 numMergedOcc 0
77 mol 238 unq 1 iso 1 dist 6.05141 8.87326 7.2766 5.50308 6.73446 7.95232 10.7081 8.09718 10.4017 6.25098 numMergedOcc 0
78 mol 238 unq 1 iso 2 dist 7.2766 8.87326 6.05141 10.4017 8.09718 10.7081 7.95232 6.73446 5.50308 6.25098 numMergedOcc 0
79 mol 238 unq 1 iso 3 dist 7.2766 8.87326 6.05141 7.95232 6.73446 5.50308 10.4017 8.09718 10.7081 6.25098 numMergedOcc 0
80 mol 238 unq 2 iso 0 dist 8.14172 5.31152 6.77463 12.2874 8.90076 10.4017 7.11984 6.62002 7.95232 6.25098 numMergedOcc 0
81 mol 238 unq 2 iso 1 dist 8.14172 5.31152 6.77463 7.11984 6.62002 7.95232 12.2874 8.90076 10.4017 6.25098 numMergedOcc 0
82 mol 238 unq 2 iso 2 dist 6.77463 5.31152 8.14172 10.4017 8.90076 12.2874 7.95232 6.62002 7.11984 6.25098 numMergedOcc 0
83 mol 238 unq 2 iso 3 dist 6.77463 5.31152 8.14172 7.95232 6.62002 7.11984 10.4017 8.90076 12.2874 6.25098 numMergedOcc 0
84 mol 238 unq 1 iso 0 dist 8.09066 5.31152 7.2766 12.2874 8.09718 10.4017 7.11984 6.73446 7.95232 6.25098 numMergedOcc 0
85 mol 238 unq 1 iso 1 dist 8.09066 5.31152 7.2766 7.11984 6.73446 7.95232 12.2874 8.09718 10.4017 6.25098 numMergedOcc 0
86 mol 238 unq 1 iso 2 dist 7.2766 5.31152 8.09066 10.4017 8.09718 12.2874 7.95232 6.73446 7.11984 6.25098 numMergedOcc 0
87 mol 238 unq 1 iso 3 dist 7.2766 5.31152 8.09066 7.95232 6.73446 7.11984 10.4017 8.09718 12.2874 6.25098 numMergedOcc 0
88 mol 256 unq 0 iso 0 dist 5.24676 9.92128 8.09363 5.28793 7.48269 10.134 4.99672 6.71249 5.94495 6.10011 numMergedOcc 0
89 mol 256 unq 0 iso 1 dist 5.24676 9.92128 8.09363 4.99672 6.71249 5.94495 5.28793 7.48269 10.134 6.10011 numMergedOcc 0
90 mol 256 unq 0 iso 2 dist 8.09363 9.92128 5.24676 10.134 7.48269 5.28793 5.94495 6.71249 4.99672 6.10011 numMergedOcc 0
91 mol 256 unq 0 iso 3 dist 8.09363 9.92128 5.24676 5.94495 6.71249 4.99672 10.134 7.48269 5.28793 6.10011 numMergedOcc 0
92 mol 256 unq 1 iso 0 dist 5.24676 9.92128 8.09363 5.28793 7.48269 10.134 7.7384 9.18903 11.0837 12.5562 numMergedOcc 0
93 mol 256 unq 1 iso 1 dist 5.24676 9.92128 8.09363 7.7384 9.18903 11.0837 5.28793 7.48269 10.134 12.5562 numMergedOcc 0
94 mol 256 unq 1 iso 2 dist 8.09363 9.92128 5.24676 10.134 7.48269 5.28793 11.0837 9.18903 7.7384 12.5562 numMergedOcc 0
95 mol 256 unq 1 iso 3 dist 8.09363 9.92128 5.24676 11.0837 9.18903 7.7384 10.134 7.48269 5.28793 12.5562 numMergedOcc 0
96 mol 256 unq 1 iso 0 dist 5.24676 9.92128 8.09363 4.99672 6.71249 5.94495 7.7384 9.18903 11.0837 8.13145 numMergedOcc 0
97 mol 256 unq 1 iso 1 dist 5.24676 9.92128 8.09363 7.7384 9.18903 11.0837 4.99672 6.71249 5.94495 8.13145 numMergedOcc 0
98 mol 256 unq 1 iso 2 dist 8.09363 9.92128 5.24676 5.94495 6.71249 4.99672 11.0837 9.18903 7.7384 8.13145 numMergedOcc 0
99 mol 256 unq 1 iso 3 dist 8.09363 9.92128 5.24676 11.0837 9.18903 7.7384 5.94495 6.71249 4.99672 8.13145 numMergedOcc 0
