0 mol 1 unq 0 iso 0 dist 8.10712 9.40282 14.5115 9.35554 5.59021 13.3466 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 8.10712 9.35554 5.59021 9.40282 14.5115 13.3466 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 6.22303 9.31285 6.39302 8.66947 6.8787 12.04 numMergedOcc 0
3 mol 4 unq 0 iso 1 dist 6.22303 8.66947 6.8787 9.31285 6.39302 12.04 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 7.19567 6.84521 10.1001 8.90024 14.2671 5.06502 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 7.19567 8.90024 14.2671 6.84521 10.1001 5.06502 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 7.19567 6.84521 10.1001 6.78532 10.3556 5.89973 numMergedOcc 0
7 mol 43 unq 1 iso 1 dist 7.19567 6.78532 10.3556 6.84521 10.1001 5.89973 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 7.19567 8.90024 14.2671 6.78532 10.3556 6.45462 numMergedOcc 0
9 mol 43 unq 1 iso 1 dist 7.19567 6.78532 10.3556 8.90024 14.2671 6.45462 numMergedOcc 0
10 mol 43 unq 2 iso 0 dist 9.34433 6.84521 12.3867 8.90024 12.0037 5.06502 numMergedOcc 0
11 mol 43 unq 2 iso 1 dist 9.34433 8.90024 12.0037 6.84521 12.3867 5.06502 numMergedOcc 0
12 mol 43 unq 3 iso 0 dist 9.34433 6.84521 12.3867 6.78532 6.9067 5.89973 numMergedOcc 0
13 mol 43 unq 3 iso 1 dist 9.34433 6.78532 6.9067 6.84521 12.3867 5.89973 numMergedOcc 0
14 mol 43 unq 3 iso 0 dist 9.34433 8.90024 12.0037 6.78532 6.9067 6.45462 numMergedOcc 0
15 mol 43 unq 3 iso 1 dist 9.34433 6.78532 6.9067 8.90024 12.0037 6.45462 numMergedOcc 0
16 mol 69 unq 0 iso 0 dist 8.32033 8.27307 7.76775 6.92837 13.1847 8.99811 numMergedOcc 0
17 mol 69 unq 0 iso 1 dist 8.32033 6.92837 13.1847 8.27307 7.76775 8.99811 numMergedOcc 0
18 mol 70 unq 0 iso 0 dist 9.26484 8.30653 11.3192 6.91739 6.39257 7.13583 numMergedOcc 0
19 mol 70 unq 0 iso 1 dist 9.26484 6.91739 6.39257 8.30653 11.3192 7.13583 numMergedOcc 0
20 mol 72 unq 0 iso 0 dist 8.06901 5.48831 5.86484 9.39178 8.82422 5.82403 numMergedOcc 0
21 mol 72 unq 0 iso 1 dist 8.06901 9.39178 8.82422 5.48831 5.86484 5.82403 numMergedOcc 0
22 mol 78 unq 0 iso 0 dist 9.93275 9.29446 9.54341 5.8992 9.58336 11.5966 numMergedOcc 0
23 mol 78 unq 0 iso 1 dist 9.93275 5.8992 9.58336 9.29446 9.54341 11.5966 numMergedOcc 0
24 mol 95 unq 0 iso 0 dist 5.84349 7.90775 4.33346 8.49531 10.3965 14.3902 numMergedOcc 0
25 mol 95 unq 0 iso 1 dist 5.84349 8.49531 10.3965 7.90775 4.33346 14.3902 numMergedOcc 0
26 mol 114 unq 0 iso 0 dist 6.15949 6.99793 7.65733 6.71345 5.24877 11.6284 numMergedOcc 0
27 mol 114 unq 0 iso 1 dist 6.15949 6.71345 5.24877 6.99793 7.65733 11.6284 numMergedOcc 0
28 mol 115 unq 0 iso 0 dist 9.18707 8.64107 5.74878 9.50575 11.7723 10.4152 numMergedOcc 0
29 mol 115 unq 0 iso 1 dist 9.18707 9.50575 11.7723 8.64107 5.74878 10.4152 numMergedOcc 0
30 mol 115 unq 1 iso 0 dist 5.91786 8.64107 7.09627 9.50575 7.10772 10.4152 numMergedOcc 0
31 mol 115 unq 1 iso 1 dist 5.91786 9.50575 7.10772 8.64107 7.09627 10.4152 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 6.7402 4.68975 8.08748 8.84656 8.44345 7.11631 numMergedOcc 0
33 mol 134 unq 0 iso 1 dist 6.7402 8.84656 8.44345 4.68975 8.08748 7.11631 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 6.7402 4.68975 8.08748 4.9155 7.46245 5.79898 numMergedOcc 0
35 mol 134 unq 1 iso 1 dist 6.7402 4.9155 7.46245 4.68975 8.08748 5.79898 numMergedOcc 0
36 mol 134 unq 1 iso 0 dist 6.7402 8.84656 8.44345 4.9155 7.46245 5.00817 numMergedOcc 0
37 mol 134 unq 1 iso 1 dist 6.7402 4.9155 7.46245 8.84656 8.44345 5.00817 numMergedOcc 0
38 mol 139 unq 0 iso 0 dist 7.83417 9.81432 7.05966 5.11962 4.78289 4.94129 numMergedOcc 0
39 mol 139 unq 0 iso 1 dist 7.83417 5.11962 4.78289 9.81432 7.05966 4.94129 numMergedOcc 0
40 mol 225 unq 0 iso 0 dist 8.33143 8.14464 14.7684 9.93754 6.89798 16.5576 numMergedOcc 0
41 mol 225 unq 0 iso 1 dist 8.33143 9.93754 6.89798 8.14464 14.7684 16.5576 numMergedOcc 0
42 mol 266 unq 0 iso 0 dist 6.20998 6.95233 5.98169 9.61741 13.6708 13.0015 numMergedOcc 0
43 mol 266 unq 0 iso 1 dist 6.20998 9.61741 13.6708 6.95233 5.98169 13.0015 numMergedOcc 0
44 mol 266 unq 1 iso 0 dist 6.20998 6.95233 5.98169 5.61056 10.2407 7.49927 numMergedOcc 0
45 mol 266 unq 1 iso 1 dist 6.20998 5.61056 10.2407 6.95233 5.98169 7.49927 numMergedOcc 0
46 mol 266 unq 1 iso 0 dist 6.20998 9.61741 13.6708 5.61056 10.2407 7.0568 numMergedOcc 0
47 mol 266 unq 1 iso 1 dist 6.20998 5.61056 10.2407 9.61741 13.6708 7.0568 numMergedOcc 0
48 mol 266 unq 2 iso 0 dist 8.78219 6.95233 13.8919 9.61741 16.7981 13.0015 numMergedOcc 0
49 mol 266 unq 2 iso 1 dist 8.78219 9.61741 16.7981 6.95233 13.8919 13.0015 numMergedOcc 0
50 mol 266 unq 3 iso 0 dist 8.78219 6.95233 13.8919 5.61056 14.0884 7.49927 numMergedOcc 0
51 mol 266 unq 3 iso 1 dist 8.78219 5.61056 14.0884 6.95233 13.8919 7.49927 numMergedOcc 0
52 mol 266 unq 3 iso 0 dist 8.78219 9.61741 16.7981 5.61056 14.0884 7.0568 numMergedOcc 0
53 mol 266 unq 3 iso 1 dist 8.78219 5.61056 14.0884 9.61741 16.7981 7.0568 numMergedOcc 0
