0 mol 34 unq 0 iso 0 dist 9.3613 8.36524 12.6572 6.20159 13.9758 13.7039 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 6.68599 5.36895 8.61524 9.78508 7.63024 6.68779 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 7.19567 6.84521 10.1001 9.92963 6.63532 15.4121 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 7.19567 6.84521 10.1001 8.07389 13.637 8.42544 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 7.19567 8.90024 14.2671 9.92963 6.63532 18.4575 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 7.19567 8.90024 14.2671 8.07389 13.637 6.09486 numMergedOcc 0
6 mol 43 unq 4 iso 0 dist 7.19567 6.78532 10.3556 9.92963 6.63532 13.9259 numMergedOcc 0
7 mol 43 unq 5 iso 0 dist 7.19567 6.78532 10.3556 8.07389 13.637 4.40385 numMergedOcc 0
8 mol 43 unq 6 iso 0 dist 9.34433 6.84521 12.3867 9.92963 12.7577 15.4121 numMergedOcc 0
9 mol 43 unq 7 iso 0 dist 9.34433 6.84521 12.3867 8.07389 6.33492 8.42544 numMergedOcc 0
10 mol 43 unq 8 iso 0 dist 9.34433 8.90024 12.0037 9.92963 12.7577 18.4575 numMergedOcc 0
11 mol 43 unq 9 iso 0 dist 9.34433 8.90024 12.0037 8.07389 6.33492 6.09486 numMergedOcc 0
12 mol 43 unq 10 iso 0 dist 9.34433 6.78532 6.9067 9.92963 12.7577 13.9259 numMergedOcc 0
13 mol 43 unq 11 iso 0 dist 9.34433 6.78532 6.9067 8.07389 6.33492 4.40385 numMergedOcc 0
14 mol 69 unq 0 iso 0 dist 8.32033 8.27307 7.76775 9.40686 16.5154 11.8246 numMergedOcc 0
15 mol 69 unq 1 iso 0 dist 8.32033 6.92837 13.1847 9.40686 16.5154 3.85648 numMergedOcc 0
16 mol 70 unq 0 iso 0 dist 6.538 8.63742 6.39257 9.41961 10.823 9.58894 numMergedOcc 0
17 mol 70 unq 1 iso 0 dist 9.26484 8.30653 11.3192 9.29166 10.823 15.4825 numMergedOcc 0
18 mol 70 unq 2 iso 0 dist 9.26484 6.91739 6.39257 9.29166 10.823 9.58894 numMergedOcc 0
19 mol 86 unq 0 iso 0 dist 8.45341 5.63037 9.69527 7.11305 9.93565 4.52616 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 9.0815 9.90891 5.91558 6.28518 13.6293 15.9553 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 8.33143 8.14464 14.7684 9.7268 9.08128 12.2034 numMergedOcc 0
22 mol 225 unq 1 iso 0 dist 8.33143 9.93754 6.89798 9.7268 9.08128 7.96183 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 8.80671 7.49412 6.81625 6.53528 10.727 6.18809 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 9.81411 7.49412 8.27017 6.53528 6.25063 6.18809 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 5.41885 7.91348 5.96471 6.38041 7.39922 5.8401 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 6.93654 9.80409 13.3163 9.00616 14.3812 15.4874 numMergedOcc 0
27 mol 261 unq 1 iso 0 dist 6.93654 9.80409 13.3163 6.35699 10.8524 13.3429 numMergedOcc 0
28 mol 261 unq 2 iso 0 dist 9.66298 9.80409 13.6041 9.00616 18.2243 15.4874 numMergedOcc 0
29 mol 261 unq 3 iso 0 dist 9.66298 9.80409 13.6041 6.35699 14.9188 13.3429 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 6.20998 6.95233 5.98169 9.85095 4.86442 5.60582 numMergedOcc 0
31 mol 266 unq 1 iso 0 dist 6.20998 6.95233 5.98169 8.25191 12.138 10.3169 numMergedOcc 0
32 mol 266 unq 2 iso 0 dist 6.20998 6.95233 5.98169 7.35056 12.3665 9.69688 numMergedOcc 0
33 mol 266 unq 3 iso 0 dist 6.20998 9.61741 13.6708 9.85095 4.86442 17.1864 numMergedOcc 0
34 mol 266 unq 4 iso 0 dist 6.20998 9.61741 13.6708 8.25191 12.138 15.5379 numMergedOcc 0
35 mol 266 unq 5 iso 0 dist 6.20998 9.61741 13.6708 7.35056 12.3665 12.4229 numMergedOcc 0
36 mol 266 unq 6 iso 0 dist 6.20998 5.61056 10.2407 9.85095 4.86442 12.5903 numMergedOcc 0
37 mol 266 unq 7 iso 0 dist 6.20998 5.61056 10.2407 8.25191 12.138 9.37668 numMergedOcc 0
38 mol 266 unq 8 iso 0 dist 6.20998 5.61056 10.2407 7.35056 12.3665 6.29234 numMergedOcc 0
39 mol 266 unq 9 iso 0 dist 8.78219 6.95233 13.8919 9.85095 13.5588 5.60582 numMergedOcc 0
40 mol 266 unq 10 iso 0 dist 8.78219 6.95233 13.8919 8.25191 11.0691 10.3169 numMergedOcc 0
41 mol 266 unq 11 iso 0 dist 8.78219 6.95233 13.8919 7.35056 12.7469 9.69688 numMergedOcc 0
42 mol 266 unq 12 iso 0 dist 8.78219 9.61741 16.7981 9.85095 13.5588 17.1864 numMergedOcc 0
43 mol 266 unq 13 iso 0 dist 8.78219 9.61741 16.7981 8.25191 11.0691 15.5379 numMergedOcc 0
44 mol 266 unq 14 iso 0 dist 8.78219 9.61741 16.7981 7.35056 12.7469 12.4229 numMergedOcc 0
45 mol 266 unq 15 iso 0 dist 8.78219 5.61056 14.0884 9.85095 13.5588 12.5903 numMergedOcc 0
46 mol 266 unq 16 iso 0 dist 8.78219 5.61056 14.0884 8.25191 11.0691 9.37668 numMergedOcc 0
47 mol 266 unq 17 iso 0 dist 8.78219 5.61056 14.0884 7.35056 12.7469 6.29234 numMergedOcc 0
48 mol 273 unq 0 iso 0 dist 7.29081 9.79022 11.0966 8.20612 11.9479 4.01113 numMergedOcc 0
49 mol 280 unq 0 iso 0 dist 3.97964 6.52188 6.0971 8.89904 5.84126 9.89602 numMergedOcc 0
50 mol 280 unq 1 iso 0 dist 7.72152 6.52188 6.96139 8.89904 13.5533 9.89602 numMergedOcc 0
