0 mol 59 unq 0 iso 0 dist 8.17564 4.82623 7.92479 8.76577 7.86646 10.472 numMergedOcc 0
1 mol 59 unq 0 iso 1 dist 8.17564 8.76577 7.86646 4.82623 7.92479 10.472 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 7.19213 6.24283 7.92479 5.00893 7.86646 10.472 numMergedOcc 0
3 mol 59 unq 1 iso 1 dist 7.19213 5.00893 7.86646 6.24283 7.92479 10.472 numMergedOcc 0
4 mol 59 unq 2 iso 0 dist 6.94351 14.6444 7.92479 12.5693 7.86646 10.472 numMergedOcc 0
5 mol 59 unq 2 iso 1 dist 6.94351 12.5693 7.86646 14.6444 7.92479 10.472 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.15288 5.07418 7.03887 5.40359 5.36451 3.24688 numMergedOcc 0
7 mol 78 unq 0 iso 1 dist 9.15288 5.40359 5.36451 5.07418 7.03887 3.24688 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 9.15288 5.07418 7.03887 9.35997 9.28354 4.60796 numMergedOcc 0
9 mol 78 unq 1 iso 1 dist 9.15288 9.35997 9.28354 5.07418 7.03887 4.60796 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 9.15288 5.40359 5.36451 9.35997 9.28354 7.19832 numMergedOcc 0
11 mol 78 unq 1 iso 1 dist 9.15288 9.35997 9.28354 5.40359 5.36451 7.19832 numMergedOcc 0
12 mol 78 unq 2 iso 0 dist 9.4909 12.3912 7.03887 11.2645 5.36451 3.24688 numMergedOcc 0
13 mol 78 unq 2 iso 1 dist 9.4909 11.2645 5.36451 12.3912 7.03887 3.24688 numMergedOcc 0
14 mol 78 unq 3 iso 0 dist 9.4909 12.3912 7.03887 15.9147 9.28354 4.60796 numMergedOcc 0
15 mol 78 unq 3 iso 1 dist 9.4909 15.9147 9.28354 12.3912 7.03887 4.60796 numMergedOcc 0
16 mol 78 unq 3 iso 0 dist 9.4909 11.2645 5.36451 15.9147 9.28354 7.19832 numMergedOcc 0
17 mol 78 unq 3 iso 1 dist 9.4909 15.9147 9.28354 11.2645 5.36451 7.19832 numMergedOcc 0
18 mol 88 unq 0 iso 0 dist 6.98838 3.48087 6.1847 10.0091 4.70557 7.57886 numMergedOcc 0
19 mol 88 unq 0 iso 1 dist 6.98838 10.0091 4.70557 3.48087 6.1847 7.57886 numMergedOcc 0
20 mol 90 unq 0 iso 0 dist 9.30724 9.79765 6.18681 8.32366 9.33288 5.0846 numMergedOcc 0
21 mol 90 unq 0 iso 1 dist 9.30724 8.32366 9.33288 9.79765 6.18681 5.0846 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 5.44714 8.67805 5.45882 6.03962 4.57487 3.74304 numMergedOcc 0
23 mol 113 unq 0 iso 1 dist 5.44714 6.03962 4.57487 8.67805 5.45882 3.74304 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 8.32685 11.8425 9.6071 12.2163 9.77656 9.2162 numMergedOcc 0
25 mol 197 unq 0 iso 1 dist 8.32685 12.2163 9.77656 11.8425 9.6071 9.2162 numMergedOcc 0
26 mol 197 unq 1 iso 0 dist 6.74777 10.0045 9.77656 13.1467 9.6071 9.2162 numMergedOcc 0
27 mol 197 unq 1 iso 1 dist 6.74777 13.1467 9.6071 10.0045 9.77656 9.2162 numMergedOcc 0
28 mol 197 unq 2 iso 0 dist 9.62514 8.82321 9.77656 15.1287 9.6071 9.2162 numMergedOcc 0
29 mol 197 unq 2 iso 1 dist 9.62514 15.1287 9.6071 8.82321 9.77656 9.2162 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 9.42374 5.8523 4.51124 10.6525 8.41517 8.59834 numMergedOcc 0
31 mol 204 unq 0 iso 1 dist 9.42374 10.6525 8.41517 5.8523 4.51124 8.59834 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 7.31632 9.74857 9.81165 3.58452 7.8423 9.77326 numMergedOcc 0
33 mol 205 unq 0 iso 1 dist 7.31632 3.58452 7.8423 9.74857 9.81165 9.77326 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 7.31632 9.74857 9.81165 5.83113 7.74029 10.1158 numMergedOcc 0
35 mol 205 unq 1 iso 1 dist 7.31632 5.83113 7.74029 9.74857 9.81165 10.1158 numMergedOcc 0
36 mol 205 unq 1 iso 0 dist 7.31632 3.58452 7.8423 5.83113 7.74029 9.13021 numMergedOcc 0
37 mol 205 unq 1 iso 1 dist 7.31632 5.83113 7.74029 3.58452 7.8423 9.13021 numMergedOcc 0
38 mol 212 unq 0 iso 0 dist 9.15316 8.689 6.07371 12.2861 7.98532 3.62594 numMergedOcc 0
39 mol 212 unq 0 iso 1 dist 9.15316 12.2861 7.98532 8.689 6.07371 3.62594 numMergedOcc 0
40 mol 264 unq 0 iso 0 dist 6.21206 11.7067 8.56867 8.75534 6.29872 2.95376 numMergedOcc 0
41 mol 264 unq 0 iso 1 dist 6.21206 8.75534 6.29872 11.7067 8.56867 2.95376 numMergedOcc 0
42 mol 294 unq 0 iso 0 dist 7.12793 4.93923 9.33755 10.0659 6.25334 11.8335 numMergedOcc 0
43 mol 294 unq 0 iso 1 dist 7.12793 10.0659 6.25334 4.93923 9.33755 11.8335 numMergedOcc 0
44 mol 294 unq 1 iso 0 dist 6.21208 10.6017 9.33755 7.2873 6.25334 11.8335 numMergedOcc 0
45 mol 294 unq 1 iso 1 dist 6.21208 7.2873 6.25334 10.6017 9.33755 11.8335 numMergedOcc 0
