0 mol 55 unq 0 iso 0 dist 8.37544 5.41839 4.92955 14.7907 9.63353 9.78016 numMergedOcc 0
1 mol 55 unq 0 iso 1 dist 4.92955 5.41839 8.37544 9.78016 9.63353 14.7907 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.53468 7.44316 5.90954 12.7709 8.59337 7.78675 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 5.90954 7.44316 6.53468 7.78675 8.59337 12.7709 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.53468 7.44316 5.90954 13.1304 7.66942 7.76917 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 5.90954 7.44316 6.53468 7.76917 7.66942 13.1304 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.42713 16.5604 8.21032 14.4533 6.46217 3.24551 numMergedOcc 0
7 mol 93 unq 0 iso 1 dist 8.21032 16.5604 8.42713 3.24551 6.46217 14.4533 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 6.17362 9.43368 6.4416 3.81254 7.12765 7.67031 numMergedOcc 0
9 mol 128 unq 0 iso 1 dist 6.4416 9.43368 6.17362 7.67031 7.12765 3.81254 numMergedOcc 0
10 mol 128 unq 1 iso 0 dist 6.17362 9.43368 6.4416 6.13996 6.28471 4.62046 numMergedOcc 0
11 mol 128 unq 1 iso 1 dist 6.4416 9.43368 6.17362 4.62046 6.28471 6.13996 numMergedOcc 0
12 mol 128 unq 2 iso 0 dist 6.17362 7.72018 6.91935 3.81254 7.12765 4.79627 numMergedOcc 0
13 mol 128 unq 2 iso 1 dist 6.91935 7.72018 6.17362 4.79627 7.12765 3.81254 numMergedOcc 0
14 mol 128 unq 3 iso 0 dist 6.17362 7.72018 6.91935 6.13996 6.28471 4.769 numMergedOcc 0
15 mol 128 unq 3 iso 1 dist 6.91935 7.72018 6.17362 4.769 6.28471 6.13996 numMergedOcc 0
16 mol 128 unq 2 iso 0 dist 6.4416 3.93975 6.91935 7.67031 7.12765 4.79627 numMergedOcc 0
17 mol 128 unq 2 iso 1 dist 6.91935 3.93975 6.4416 4.79627 7.12765 7.67031 numMergedOcc 0
18 mol 128 unq 3 iso 0 dist 6.4416 3.93975 6.91935 4.62046 6.28471 4.769 numMergedOcc 0
19 mol 128 unq 3 iso 1 dist 6.91935 3.93975 6.4416 4.769 6.28471 4.62046 numMergedOcc 0
20 mol 151 unq 0 iso 0 dist 5.87912 7.57396 7.06678 9.75631 9.06016 8.95545 numMergedOcc 0
21 mol 151 unq 0 iso 1 dist 7.06678 7.57396 5.87912 8.95545 9.06016 9.75631 numMergedOcc 0
22 mol 163 unq 0 iso 0 dist 9.3832 13.3451 6.0247 3.65465 7.69757 11.458 numMergedOcc 0
23 mol 163 unq 0 iso 1 dist 6.0247 13.3451 9.3832 11.458 7.69757 3.65465 numMergedOcc 0
24 mol 163 unq 1 iso 0 dist 9.3832 10.5194 6.40873 3.65465 7.69757 9.56095 numMergedOcc 0
25 mol 163 unq 1 iso 1 dist 6.40873 10.5194 9.3832 9.56095 7.69757 3.65465 numMergedOcc 0
26 mol 163 unq 1 iso 0 dist 6.0247 4.36743 6.40873 11.458 7.69757 9.56095 numMergedOcc 0
27 mol 163 unq 1 iso 1 dist 6.40873 4.36743 6.0247 9.56095 7.69757 11.458 numMergedOcc 0
28 mol 175 unq 0 iso 0 dist 9.08628 11.0069 8.35581 16.2286 7.6741 10.3387 numMergedOcc 0
29 mol 175 unq 0 iso 1 dist 8.35581 11.0069 9.08628 10.3387 7.6741 16.2286 numMergedOcc 0
30 mol 175 unq 1 iso 0 dist 9.08628 11.5236 6.72569 16.2286 7.6741 7.28678 numMergedOcc 0
31 mol 175 unq 1 iso 1 dist 6.72569 11.5236 9.08628 7.28678 7.6741 16.2286 numMergedOcc 0
32 mol 175 unq 1 iso 0 dist 8.35581 3.90258 6.72569 10.3387 7.6741 7.28678 numMergedOcc 0
33 mol 175 unq 1 iso 1 dist 6.72569 3.90258 8.35581 7.28678 7.6741 10.3387 numMergedOcc 0
34 mol 250 unq 0 iso 0 dist 9.43554 17.2728 9.21681 7.81555 7.5999 16.7301 numMergedOcc 0
35 mol 250 unq 0 iso 1 dist 9.21681 17.2728 9.43554 16.7301 7.5999 7.81555 numMergedOcc 0
36 mol 250 unq 1 iso 0 dist 9.43554 17.2728 9.21681 9.41799 9.50976 16.2129 numMergedOcc 0
37 mol 250 unq 1 iso 1 dist 9.21681 17.2728 9.43554 16.2129 9.50976 9.41799 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 9.81593 17.9543 9.78248 18.713 9.76731 3.91004 numMergedOcc 0
39 mol 252 unq 0 iso 1 dist 9.78248 17.9543 9.81593 3.91004 9.76731 18.713 numMergedOcc 0
40 mol 252 unq 1 iso 0 dist 9.81593 17.9543 9.78248 15.0079 8.38599 3.76825 numMergedOcc 0
41 mol 252 unq 1 iso 1 dist 9.78248 17.9543 9.81593 3.76825 8.38599 15.0079 numMergedOcc 0
42 mol 264 unq 0 iso 0 dist 8.28871 12.3243 7.94668 9.86659 8.78525 9.26671 numMergedOcc 0
43 mol 264 unq 0 iso 1 dist 7.94668 12.3243 8.28871 9.26671 8.78525 9.86659 numMergedOcc 0
