0 mol 39 unq 0 iso 0 dist 8.62842 12.6438 8.19733 7.19373 8.57165 15.4102 numMergedOcc 0
1 mol 39 unq 0 iso 1 dist 8.62842 7.19373 8.57165 12.6438 8.19733 15.4102 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 8.27298 15.6407 8.19733 5.14632 8.57165 15.4102 numMergedOcc 0
3 mol 39 unq 1 iso 1 dist 8.27298 5.14632 8.57165 15.6407 8.19733 15.4102 numMergedOcc 0
4 mol 39 unq 2 iso 0 dist 8.56111 16.7059 8.19733 5.90834 8.57165 15.4102 numMergedOcc 0
5 mol 39 unq 2 iso 1 dist 8.56111 5.90834 8.57165 16.7059 8.19733 15.4102 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 7.67321 11.1982 6.82089 6.1956 5.38314 6.09983 numMergedOcc 0
7 mol 130 unq 0 iso 1 dist 7.67321 6.1956 5.38314 11.1982 6.82089 6.09983 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 9.95533 10.6903 5.1101 15.5982 7.01133 6.46698 numMergedOcc 0
9 mol 147 unq 0 iso 1 dist 9.95533 15.5982 7.01133 10.6903 5.1101 6.46698 numMergedOcc 0
10 mol 147 unq 1 iso 0 dist 7.94147 12.5048 5.1101 12.2623 7.01133 6.46698 numMergedOcc 0
11 mol 147 unq 1 iso 1 dist 7.94147 12.2623 7.01133 12.5048 5.1101 6.46698 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 9.40992 6.71274 6.87906 10.5172 8.49473 6.29254 numMergedOcc 0
13 mol 156 unq 0 iso 1 dist 9.40992 10.5172 8.49473 6.71274 6.87906 6.29254 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 9.40992 6.71274 6.87906 11.7545 7.94975 8.88109 numMergedOcc 0
15 mol 156 unq 1 iso 1 dist 9.40992 11.7545 7.94975 6.71274 6.87906 8.88109 numMergedOcc 0
16 mol 156 unq 2 iso 0 dist 9.40992 6.71274 6.87906 8.15753 9.39865 11.878 numMergedOcc 0
17 mol 156 unq 2 iso 1 dist 9.40992 8.15753 9.39865 6.71274 6.87906 11.878 numMergedOcc 0
18 mol 156 unq 1 iso 0 dist 9.40992 10.5172 8.49473 11.7545 7.94975 13.8529 numMergedOcc 0
19 mol 156 unq 1 iso 1 dist 9.40992 11.7545 7.94975 10.5172 8.49473 13.8529 numMergedOcc 0
20 mol 156 unq 2 iso 0 dist 9.40992 10.5172 8.49473 8.15753 9.39865 15.5923 numMergedOcc 0
21 mol 156 unq 2 iso 1 dist 9.40992 8.15753 9.39865 10.5172 8.49473 15.5923 numMergedOcc 0
22 mol 156 unq 2 iso 0 dist 9.40992 11.7545 7.94975 8.15753 9.39865 10.8989 numMergedOcc 0
23 mol 156 unq 2 iso 1 dist 9.40992 8.15753 9.39865 11.7545 7.94975 10.8989 numMergedOcc 0
24 mol 156 unq 3 iso 0 dist 7.44879 7.81605 6.87906 5.70108 8.49473 6.29254 numMergedOcc 0
25 mol 156 unq 3 iso 1 dist 7.44879 5.70108 8.49473 7.81605 6.87906 6.29254 numMergedOcc 0
26 mol 156 unq 4 iso 0 dist 7.44879 7.81605 6.87906 11.6326 7.94975 8.88109 numMergedOcc 0
27 mol 156 unq 4 iso 1 dist 7.44879 11.6326 7.94975 7.81605 6.87906 8.88109 numMergedOcc 0
28 mol 156 unq 5 iso 0 dist 7.44879 7.81605 6.87906 16.5468 9.39865 11.878 numMergedOcc 0
29 mol 156 unq 5 iso 1 dist 7.44879 16.5468 9.39865 7.81605 6.87906 11.878 numMergedOcc 0
30 mol 156 unq 4 iso 0 dist 7.44879 5.70108 8.49473 11.6326 7.94975 13.8529 numMergedOcc 0
31 mol 156 unq 4 iso 1 dist 7.44879 11.6326 7.94975 5.70108 8.49473 13.8529 numMergedOcc 0
32 mol 156 unq 5 iso 0 dist 7.44879 5.70108 8.49473 16.5468 9.39865 15.5923 numMergedOcc 0
33 mol 156 unq 5 iso 1 dist 7.44879 16.5468 9.39865 5.70108 8.49473 15.5923 numMergedOcc 0
34 mol 156 unq 5 iso 0 dist 7.44879 11.6326 7.94975 16.5468 9.39865 10.8989 numMergedOcc 0
35 mol 156 unq 5 iso 1 dist 7.44879 16.5468 9.39865 11.6326 7.94975 10.8989 numMergedOcc 0
36 mol 156 unq 6 iso 0 dist 7.64275 7.81605 9.54367 11.6326 7.26859 8.88109 numMergedOcc 0
37 mol 156 unq 6 iso 1 dist 7.64275 11.6326 7.26859 7.81605 9.54367 8.88109 numMergedOcc 0
38 mol 163 unq 0 iso 0 dist 8.67619 5.51913 8.21476 11.5521 7.66897 7.11179 numMergedOcc 0
39 mol 163 unq 0 iso 1 dist 8.67619 11.5521 7.66897 5.51913 8.21476 7.11179 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 6.86144 6.23042 7.345 12.032 9.52987 6.33699 numMergedOcc 0
41 mol 181 unq 0 iso 1 dist 6.86144 12.032 9.52987 6.23042 7.345 6.33699 numMergedOcc 0
42 mol 220 unq 0 iso 0 dist 7.30969 10.0465 9.23047 5.68493 8.66548 6.09764 numMergedOcc 0
43 mol 220 unq 0 iso 1 dist 7.30969 5.68493 8.66548 10.0465 9.23047 6.09764 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 9.62121 5.30958 7.61203 7.68455 9.47845 5.39292 numMergedOcc 0
45 mol 238 unq 0 iso 1 dist 9.62121 7.68455 9.47845 5.30958 7.61203 5.39292 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 9.62121 5.30958 7.61203 6.2139 6.92409 6.32518 numMergedOcc 0
47 mol 238 unq 1 iso 1 dist 9.62121 6.2139 6.92409 5.30958 7.61203 6.32518 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 9.62121 5.30958 7.61203 12.3809 6.89694 9.50847 numMergedOcc 0
49 mol 238 unq 2 iso 1 dist 9.62121 12.3809 6.89694 5.30958 7.61203 9.50847 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 9.62121 7.68455 9.47845 6.2139 6.92409 4.83721 numMergedOcc 0
51 mol 238 unq 1 iso 1 dist 9.62121 6.2139 6.92409 7.68455 9.47845 4.83721 numMergedOcc 0
52 mol 238 unq 2 iso 0 dist 9.62121 7.68455 9.47845 12.3809 6.89694 13.7203 numMergedOcc 0
53 mol 238 unq 2 iso 1 dist 9.62121 12.3809 6.89694 7.68455 9.47845 13.7203 numMergedOcc 0
54 mol 238 unq 2 iso 0 dist 9.62121 6.2139 6.92409 12.3809 6.89694 12.6266 numMergedOcc 0
55 mol 238 unq 2 iso 1 dist 9.62121 12.3809 6.89694 6.2139 6.92409 12.6266 numMergedOcc 0
56 mol 252 unq 0 iso 0 dist 6.97105 5.3935 5.2361 11.142 5.57515 9.93756 numMergedOcc 0
57 mol 252 unq 0 iso 1 dist 6.97105 11.142 5.57515 5.3935 5.2361 9.93756 numMergedOcc 0
58 mol 252 unq 1 iso 0 dist 6.97105 5.3935 5.2361 10.9527 8.28694 11.2543 numMergedOcc 0
59 mol 252 unq 1 iso 1 dist 6.97105 10.9527 8.28694 5.3935 5.2361 11.2543 numMergedOcc 0
60 mol 252 unq 1 iso 0 dist 6.97105 11.142 5.57515 10.9527 8.28694 4.79679 numMergedOcc 0
61 mol 252 unq 1 iso 1 dist 6.97105 10.9527 8.28694 11.142 5.57515 4.79679 numMergedOcc 0
62 mol 278 unq 0 iso 0 dist 9.67619 6.87868 9.80746 10.7269 9.48589 10.1368 numMergedOcc 0
63 mol 278 unq 0 iso 1 dist 9.67619 10.7269 9.48589 6.87868 9.80746 10.1368 numMergedOcc 0
