0 mol 43 unq 0 iso 0 dist 9.72036 9.3718 9.30704 4.45291 8.25915 9.81007 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.3718 9.72036 9.30704 4.45291 9.81007 8.25915 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.0851 7.61615 3.48713 11.5886 9.78501 13.2337 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.27814 8.15861 16.3912 15.4847 9.22903 22.4453 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.23294 8.2702 9.47916 6.433 7.37377 12.792 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 6.33923 9.9801 6.13173 4.53184 7.36025 9.60251 numMergedOcc 0
6 mol 111 unq 1 iso 0 dist 9.9801 6.33923 6.13173 4.53184 9.60251 7.36025 numMergedOcc 0
7 mol 111 unq 2 iso 0 dist 8.51084 5.53271 8.72808 5.25493 8.48433 9.30841 numMergedOcc 0
8 mol 165 unq 0 iso 0 dist 7.84854 9.43781 13.4383 5.05659 4.63353 12.713 numMergedOcc 0
9 mol 176 unq 0 iso 0 dist 9.81187 9.71347 3.00778 9.74655 7.69241 10.2079 numMergedOcc 0
10 mol 176 unq 1 iso 0 dist 9.81187 8.77405 5.3861 9.74655 7.69241 8.6431 numMergedOcc 0
11 mol 176 unq 2 iso 0 dist 9.81187 8.5107 8.21185 9.74655 7.69241 11.4266 numMergedOcc 0
12 mol 176 unq 3 iso 0 dist 4.67031 6.20326 3.00778 5.74134 7.69241 10.2079 numMergedOcc 0
13 mol 176 unq 4 iso 0 dist 4.67031 8.98043 8.45723 5.74134 7.69241 7.77962 numMergedOcc 0
14 mol 176 unq 5 iso 0 dist 4.67031 6.8243 5.3861 5.74134 7.69241 8.6431 numMergedOcc 0
15 mol 176 unq 6 iso 0 dist 4.67031 8.90797 8.21185 5.74134 7.69241 11.4266 numMergedOcc 0
16 mol 176 unq 7 iso 0 dist 8.98043 4.67031 8.45723 5.74134 7.77962 7.69241 numMergedOcc 0
17 mol 176 unq 8 iso 0 dist 8.98043 6.20326 9.21089 5.74134 7.77962 10.2079 numMergedOcc 0
18 mol 176 unq 9 iso 0 dist 8.98043 6.8243 4.47711 5.74134 7.77962 8.6431 numMergedOcc 0
19 mol 176 unq 10 iso 0 dist 8.98043 8.90797 6.34877 5.74134 7.77962 11.4266 numMergedOcc 0
20 mol 176 unq 11 iso 0 dist 8.77405 9.81187 5.3861 9.74655 8.6431 7.69241 numMergedOcc 0
21 mol 176 unq 12 iso 0 dist 8.77405 9.71347 5.04828 9.74655 8.6431 10.2079 numMergedOcc 0
22 mol 176 unq 13 iso 0 dist 8.77405 8.5107 3.47516 9.74655 8.6431 11.4266 numMergedOcc 0
23 mol 176 unq 14 iso 0 dist 6.8243 4.67031 5.3861 5.74134 8.6431 7.69241 numMergedOcc 0
24 mol 176 unq 15 iso 0 dist 6.8243 6.20326 5.04828 5.74134 8.6431 10.2079 numMergedOcc 0
25 mol 176 unq 16 iso 0 dist 6.8243 8.98043 4.47711 5.74134 8.6431 7.77962 numMergedOcc 0
26 mol 176 unq 17 iso 0 dist 6.8243 8.90797 3.47516 5.74134 8.6431 11.4266 numMergedOcc 0
27 mol 184 unq 0 iso 0 dist 5.86468 7.42696 11.7423 13.0222 8.98606 17.7036 numMergedOcc 0
28 mol 184 unq 1 iso 0 dist 5.86468 8.73302 8.04915 13.0222 8.98606 8.7823 numMergedOcc 0
29 mol 194 unq 0 iso 0 dist 4.42095 4.55528 3.78714 13.9253 9.60788 11.9307 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 4.63898 6.88386 3.78714 10.4232 9.60788 11.9307 numMergedOcc 0
31 mol 225 unq 0 iso 0 dist 8.52735 5.65735 8.44761 8.16509 8.13294 12.1527 numMergedOcc 0
32 mol 230 unq 0 iso 0 dist 7.12149 9.64987 9.60716 5.93615 9.35071 15.2963 numMergedOcc 0
33 mol 239 unq 0 iso 0 dist 7.45508 5.79883 12.7924 11.0598 7.01673 15.7309 numMergedOcc 0
34 mol 254 unq 0 iso 0 dist 7.94753 9.99046 2.67738 13.5342 9.70628 7.98511 numMergedOcc 0
35 mol 254 unq 1 iso 0 dist 9.99046 7.94753 2.67738 13.5342 7.98511 9.70628 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 6.32853 5.77565 5.57024 5.69575 8.23254 10.7971 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 8.15636 7.86292 6.88819 12.4032 7.81225 13.6719 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 8.15636 7.86292 6.88819 12.4032 7.81225 13.6719 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 8.15636 7.86292 6.88819 12.4032 7.81225 13.6719 numMergedOcc 0
