0 mol 26 unq 0 iso 0 dist 7.22361 11.3644 6.15893 7.52321 7.35861 7.26595 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 6.15893 11.3644 7.22361 7.26595 7.35861 7.52321 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 9.63599 9.20479 8.01743 6.49291 9.78384 6.4154 numMergedOcc 0
3 mol 79 unq 0 iso 1 dist 8.01743 9.20479 9.63599 6.4154 9.78384 6.49291 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 9.63599 9.20479 8.01743 11.51 8.87742 11.4135 numMergedOcc 0
5 mol 79 unq 1 iso 1 dist 8.01743 9.20479 9.63599 11.4135 8.87742 11.51 numMergedOcc 0
6 mol 79 unq 2 iso 0 dist 9.63599 9.20479 8.01743 7.82761 4.93468 4.58851 numMergedOcc 0
7 mol 79 unq 2 iso 1 dist 8.01743 9.20479 9.63599 4.58851 4.93468 7.82761 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.83981 5.74742 6.13559 16.0864 8.42878 11.1434 numMergedOcc 0
9 mol 114 unq 0 iso 1 dist 6.13559 5.74742 9.83981 11.1434 8.42878 16.0864 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 9.83981 12.0339 6.51395 16.0864 8.42878 4.41568 numMergedOcc 0
11 mol 114 unq 1 iso 1 dist 6.51395 12.0339 9.83981 4.41568 8.42878 16.0864 numMergedOcc 0
12 mol 114 unq 1 iso 0 dist 6.13559 7.50948 6.51395 11.1434 8.42878 4.41568 numMergedOcc 0
13 mol 114 unq 1 iso 1 dist 6.51395 7.50948 6.13559 4.41568 8.42878 11.1434 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 7.35992 6.36898 6.49383 6.10081 8.38606 4.94926 numMergedOcc 0
15 mol 116 unq 0 iso 1 dist 6.49383 6.36898 7.35992 4.94926 8.38606 6.10081 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 8.55616 9.57049 8.73604 10.6595 6.40575 14.1488 numMergedOcc 0
17 mol 134 unq 0 iso 1 dist 8.73604 9.57049 8.55616 14.1488 6.40575 10.6595 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 4.25566 7.41037 6.63171 7.64948 9.83945 14.2837 numMergedOcc 0
19 mol 141 unq 0 iso 1 dist 6.63171 7.41037 4.25566 14.2837 9.83945 7.64948 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 4.25566 6.97263 7.67273 7.64948 9.83945 10.6379 numMergedOcc 0
21 mol 141 unq 1 iso 1 dist 7.67273 6.97263 4.25566 10.6379 9.83945 7.64948 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 6.63171 6.23867 7.67273 14.2837 9.83945 10.6379 numMergedOcc 0
23 mol 141 unq 1 iso 1 dist 7.67273 6.23867 6.63171 10.6379 9.83945 14.2837 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 9.06217 5.3528 7.13252 10.6325 7.32087 8.45963 numMergedOcc 0
25 mol 181 unq 0 iso 1 dist 7.13252 5.3528 9.06217 8.45963 7.32087 10.6325 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 9.06217 5.3528 7.13252 8.15174 8.86197 11.047 numMergedOcc 0
27 mol 181 unq 1 iso 1 dist 7.13252 5.3528 9.06217 11.047 8.86197 8.15174 numMergedOcc 0
28 mol 181 unq 2 iso 0 dist 5.97685 6.46849 8.9289 11.2039 7.22883 15.9559 numMergedOcc 0
29 mol 181 unq 2 iso 1 dist 8.9289 6.46849 5.97685 15.9559 7.22883 11.2039 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 6.62002 12.6844 9.69818 4.38002 5.92374 14.6816 numMergedOcc 0
31 mol 238 unq 0 iso 1 dist 9.69818 12.6844 6.62002 14.6816 5.92374 4.38002 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 6.62002 10.9258 6.73446 4.38002 5.92374 11.5793 numMergedOcc 0
33 mol 238 unq 1 iso 1 dist 6.73446 10.9258 6.62002 11.5793 5.92374 4.38002 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 9.69818 5.38691 6.73446 14.6816 5.92374 11.5793 numMergedOcc 0
35 mol 238 unq 1 iso 1 dist 6.73446 5.38691 9.69818 11.5793 5.92374 14.6816 numMergedOcc 0
36 mol 250 unq 0 iso 0 dist 5.97993 4.81479 6.44252 7.73342 9.70149 5.66455 numMergedOcc 0
37 mol 250 unq 0 iso 1 dist 6.44252 4.81479 5.97993 5.66455 9.70149 7.73342 numMergedOcc 0
38 mol 280 unq 0 iso 0 dist 5.80452 7.20835 7.82157 4.12456 6.73712 9.56032 numMergedOcc 0
39 mol 280 unq 0 iso 1 dist 7.82157 7.20835 5.80452 9.56032 6.73712 4.12456 numMergedOcc 0
40 mol 280 unq 1 iso 0 dist 5.80452 7.20835 7.82157 10.4684 9.35704 6.37191 numMergedOcc 0
41 mol 280 unq 1 iso 1 dist 7.82157 7.20835 5.80452 6.37191 9.35704 10.4684 numMergedOcc 0
