0 mol 72 unq 0 iso 0 dist 9.26417 13.1473 6.53824 16.7405 7.67686 6.31884 numMergedOcc 0
1 mol 72 unq 0 iso 1 dist 9.26417 16.7405 7.67686 13.1473 6.53824 6.31884 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 8.8326 9.82998 9.4866 15.7506 9.40363 10.6948 numMergedOcc 0
3 mol 76 unq 0 iso 1 dist 8.8326 15.7506 9.40363 9.82998 9.4866 10.6948 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 7.22752 5.38332 8.38791 5.23865 8.86037 8.08303 numMergedOcc 0
5 mol 109 unq 0 iso 1 dist 7.22752 5.23865 8.86037 5.38332 8.38791 8.08303 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 8.4088 11.7526 5.06715 10.8306 6.14686 5.75826 numMergedOcc 0
7 mol 134 unq 0 iso 1 dist 8.4088 10.8306 6.14686 11.7526 5.06715 5.75826 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 8.4088 11.7526 5.06715 10.1184 8.22942 6.53113 numMergedOcc 0
9 mol 134 unq 1 iso 1 dist 8.4088 10.1184 8.22942 11.7526 5.06715 6.53113 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 8.4088 11.7526 5.06715 5.73959 8.50502 9.10698 numMergedOcc 0
11 mol 134 unq 2 iso 1 dist 8.4088 5.73959 8.50502 11.7526 5.06715 9.10698 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 8.4088 11.7526 5.06715 7.28943 6.68164 7.12323 numMergedOcc 0
13 mol 134 unq 3 iso 1 dist 8.4088 7.28943 6.68164 11.7526 5.06715 7.12323 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.4088 10.8306 6.14686 10.1184 8.22942 4.86065 numMergedOcc 0
15 mol 134 unq 1 iso 1 dist 8.4088 10.1184 8.22942 10.8306 6.14686 4.86065 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 8.4088 10.8306 6.14686 5.73959 8.50502 8.71104 numMergedOcc 0
17 mol 134 unq 2 iso 1 dist 8.4088 5.73959 8.50502 10.8306 6.14686 8.71104 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 8.4088 10.8306 6.14686 7.28943 6.68164 9.82847 numMergedOcc 0
19 mol 134 unq 3 iso 1 dist 8.4088 7.28943 6.68164 10.8306 6.14686 9.82847 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 8.4088 10.1184 8.22942 5.73959 8.50502 5.63949 numMergedOcc 0
21 mol 134 unq 2 iso 1 dist 8.4088 5.73959 8.50502 10.1184 8.22942 5.63949 numMergedOcc 0
22 mol 134 unq 3 iso 0 dist 8.4088 10.1184 8.22942 7.28943 6.68164 8.00678 numMergedOcc 0
23 mol 134 unq 3 iso 1 dist 8.4088 7.28943 6.68164 10.1184 8.22942 8.00678 numMergedOcc 0
24 mol 134 unq 3 iso 0 dist 8.4088 5.73959 8.50502 7.28943 6.68164 5.2179 numMergedOcc 0
25 mol 134 unq 3 iso 1 dist 8.4088 7.28943 6.68164 5.73959 8.50502 5.2179 numMergedOcc 0
26 mol 155 unq 0 iso 0 dist 8.14405 7.441 7.29911 6.79302 5.36254 5.68272 numMergedOcc 0
27 mol 155 unq 0 iso 1 dist 8.14405 6.79302 5.36254 7.441 7.29911 5.68272 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 9.26885 9.24953 6.11135 11.5934 6.54481 7.46053 numMergedOcc 0
29 mol 194 unq 0 iso 1 dist 9.26885 11.5934 6.54481 9.24953 6.11135 7.46053 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 9.26885 9.24953 6.11135 8.10542 8.03403 7.61485 numMergedOcc 0
31 mol 194 unq 1 iso 1 dist 9.26885 8.10542 8.03403 9.24953 6.11135 7.61485 numMergedOcc 0
32 mol 194 unq 1 iso 0 dist 9.26885 11.5934 6.54481 8.10542 8.03403 4.87859 numMergedOcc 0
33 mol 194 unq 1 iso 1 dist 9.26885 8.10542 8.03403 11.5934 6.54481 4.87859 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 8.57638 8.30209 9.59426 11.2606 8.61306 4.63933 numMergedOcc 0
35 mol 218 unq 0 iso 1 dist 8.57638 11.2606 8.61306 8.30209 9.59426 4.63933 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 5.88041 5.56344 5.73591 7.256 8.55345 4.74813 numMergedOcc 0
37 mol 224 unq 0 iso 1 dist 5.88041 7.256 8.55345 5.56344 5.73591 4.74813 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 9.40158 12.3374 9.38131 5.92575 6.85253 6.44245 numMergedOcc 0
39 mol 238 unq 0 iso 1 dist 9.40158 5.92575 6.85253 12.3374 9.38131 6.44245 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 9.40158 12.3374 9.38131 15.6966 9.08687 13.7867 numMergedOcc 0
41 mol 238 unq 1 iso 1 dist 9.40158 15.6966 9.08687 12.3374 9.38131 13.7867 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 9.40158 5.92575 6.85253 15.6966 9.08687 13.0634 numMergedOcc 0
43 mol 238 unq 1 iso 1 dist 9.40158 15.6966 9.08687 5.92575 6.85253 13.0634 numMergedOcc 0
44 mol 238 unq 2 iso 0 dist 5.41453 11.6924 7.39547 5.61491 7.24334 9.50847 numMergedOcc 0
45 mol 238 unq 2 iso 1 dist 5.41453 5.61491 7.24334 11.6924 7.39547 9.50847 numMergedOcc 0
46 mol 260 unq 0 iso 0 dist 8.01717 11.1972 8.5613 5.84368 5.7791 5.69506 numMergedOcc 0
47 mol 260 unq 0 iso 1 dist 8.01717 5.84368 5.7791 11.1972 8.5613 5.69506 numMergedOcc 0
