0 mol 10 unq 0 iso 0 dist 8.50323 6.97549 9.76751 6.47424 5.66127 8.53083 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 8.50323 6.47424 5.66127 6.97549 9.76751 8.53083 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 7.54056 9.39194 7.63516 7.30322 3.68767 9.19346 numMergedOcc 0
3 mol 30 unq 0 iso 1 dist 7.54056 7.30322 3.68767 9.39194 7.63516 9.19346 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.52017 9.72036 8.45249 9.3718 4.5601 9.30704 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 8.52017 9.3718 4.5601 9.72036 8.45249 9.30704 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 6.16398 9.86131 6.68956 6.75985 3.26501 5.66184 numMergedOcc 0
7 mol 79 unq 0 iso 1 dist 6.16398 6.75985 3.26501 9.86131 6.68956 5.66184 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 9.42805 7.65919 6.03116 8.55413 9.45081 9.76537 numMergedOcc 0
9 mol 116 unq 0 iso 1 dist 9.42805 8.55413 9.45081 7.65919 6.03116 9.76537 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 7.81657 5.39792 3.47821 8.44206 6.10769 5.26524 numMergedOcc 0
11 mol 120 unq 0 iso 1 dist 7.81657 8.44206 6.10769 5.39792 3.47821 5.26524 numMergedOcc 0
12 mol 123 unq 0 iso 0 dist 6.49558 8.09682 8.56894 8.35926 3.21474 10.2185 numMergedOcc 0
13 mol 123 unq 0 iso 1 dist 6.49558 8.35926 3.21474 8.09682 8.56894 10.2185 numMergedOcc 0
14 mol 123 unq 1 iso 0 dist 6.49558 8.09682 8.56894 7.41568 9.94939 8.29136 numMergedOcc 0
15 mol 123 unq 1 iso 1 dist 6.49558 7.41568 9.94939 8.09682 8.56894 8.29136 numMergedOcc 0
16 mol 123 unq 1 iso 0 dist 6.49558 8.35926 3.21474 7.41568 9.94939 13.0033 numMergedOcc 0
17 mol 123 unq 1 iso 1 dist 6.49558 7.41568 9.94939 8.35926 3.21474 13.0033 numMergedOcc 0
18 mol 176 unq 0 iso 0 dist 8.95295 4.67031 6.22252 6.20326 3.54036 3.00778 numMergedOcc 0
19 mol 176 unq 0 iso 1 dist 8.95295 6.20326 3.54036 4.67031 6.22252 3.00778 numMergedOcc 0
20 mol 176 unq 1 iso 0 dist 8.95295 4.67031 6.22252 8.98043 9.26997 8.45723 numMergedOcc 0
21 mol 176 unq 1 iso 1 dist 8.95295 8.98043 9.26997 4.67031 6.22252 8.45723 numMergedOcc 0
22 mol 176 unq 2 iso 0 dist 8.95295 4.67031 6.22252 6.8243 4.96592 5.3861 numMergedOcc 0
23 mol 176 unq 2 iso 1 dist 8.95295 6.8243 4.96592 4.67031 6.22252 5.3861 numMergedOcc 0
24 mol 176 unq 3 iso 0 dist 8.95295 4.67031 6.22252 8.90797 5.05388 8.21185 numMergedOcc 0
25 mol 176 unq 3 iso 1 dist 8.95295 8.90797 5.05388 4.67031 6.22252 8.21185 numMergedOcc 0
26 mol 176 unq 1 iso 0 dist 8.95295 6.20326 3.54036 8.98043 9.26997 9.21089 numMergedOcc 0
27 mol 176 unq 1 iso 1 dist 8.95295 8.98043 9.26997 6.20326 3.54036 9.21089 numMergedOcc 0
28 mol 176 unq 2 iso 0 dist 8.95295 6.20326 3.54036 6.8243 4.96592 5.04828 numMergedOcc 0
29 mol 176 unq 2 iso 1 dist 8.95295 6.8243 4.96592 6.20326 3.54036 5.04828 numMergedOcc 0
30 mol 176 unq 3 iso 0 dist 8.95295 6.20326 3.54036 8.90797 5.05388 6.79616 numMergedOcc 0
31 mol 176 unq 3 iso 1 dist 8.95295 8.90797 5.05388 6.20326 3.54036 6.79616 numMergedOcc 0
32 mol 176 unq 2 iso 0 dist 8.95295 8.98043 9.26997 6.8243 4.96592 4.47711 numMergedOcc 0
33 mol 176 unq 2 iso 1 dist 8.95295 6.8243 4.96592 8.98043 9.26997 4.47711 numMergedOcc 0
34 mol 176 unq 3 iso 0 dist 8.95295 8.98043 9.26997 8.90797 5.05388 6.34877 numMergedOcc 0
35 mol 176 unq 3 iso 1 dist 8.95295 8.90797 5.05388 8.98043 9.26997 6.34877 numMergedOcc 0
36 mol 176 unq 3 iso 0 dist 8.95295 6.8243 4.96592 8.90797 5.05388 3.47516 numMergedOcc 0
37 mol 176 unq 3 iso 1 dist 8.95295 8.90797 5.05388 6.8243 4.96592 3.47516 numMergedOcc 0
38 mol 184 unq 0 iso 0 dist 6.4064 7.42696 3.07409 5.86468 9.86813 11.7423 numMergedOcc 0
39 mol 184 unq 0 iso 1 dist 6.4064 5.86468 9.86813 7.42696 3.07409 11.7423 numMergedOcc 0
40 mol 184 unq 1 iso 0 dist 6.4064 7.42696 3.07409 8.73302 6.87402 9.91264 numMergedOcc 0
41 mol 184 unq 1 iso 1 dist 6.4064 8.73302 6.87402 7.42696 3.07409 9.91264 numMergedOcc 0
42 mol 184 unq 1 iso 0 dist 6.4064 5.86468 9.86813 8.73302 6.87402 8.04915 numMergedOcc 0
43 mol 184 unq 1 iso 1 dist 6.4064 8.73302 6.87402 5.86468 9.86813 8.04915 numMergedOcc 0
44 mol 184 unq 2 iso 0 dist 7.17252 7.42696 8.40636 5.86468 6.13585 11.7423 numMergedOcc 0
45 mol 184 unq 2 iso 1 dist 7.17252 5.86468 6.13585 7.42696 8.40636 11.7423 numMergedOcc 0
46 mol 184 unq 3 iso 0 dist 7.17252 7.42696 8.40636 8.73302 4.1284 9.91264 numMergedOcc 0
47 mol 184 unq 3 iso 1 dist 7.17252 8.73302 4.1284 7.42696 8.40636 9.91264 numMergedOcc 0
48 mol 184 unq 3 iso 0 dist 7.17252 5.86468 6.13585 8.73302 4.1284 8.04915 numMergedOcc 0
49 mol 184 unq 3 iso 1 dist 7.17252 8.73302 4.1284 5.86468 6.13585 8.04915 numMergedOcc 0
50 mol 218 unq 0 iso 0 dist 6.59468 9.08818 3.33782 8.5163 5.81454 7.80024 numMergedOcc 0
51 mol 218 unq 0 iso 1 dist 6.59468 8.5163 5.81454 9.08818 3.33782 7.80024 numMergedOcc 0
52 mol 230 unq 0 iso 0 dist 7.02381 9.64987 9.09582 7.12149 3.83847 9.60716 numMergedOcc 0
53 mol 230 unq 0 iso 1 dist 7.02381 7.12149 3.83847 9.64987 9.09582 9.60716 numMergedOcc 0
54 mol 239 unq 0 iso 0 dist 8.00415 7.45508 5.98994 5.79883 11.6074 12.7924 numMergedOcc 0
55 mol 239 unq 0 iso 1 dist 8.00415 5.79883 11.6074 7.45508 5.98994 12.7924 numMergedOcc 0
