0 mol 38 unq 0 iso 0 dist 7.68478 5.64331 6.87122 10.0309 8.50003 6.37474 numMergedOcc 0
1 mol 38 unq 0 iso 1 dist 6.87122 5.64331 7.68478 6.37474 8.50003 10.0309 numMergedOcc 0
2 mol 38 unq 1 iso 0 dist 7.68478 5.64331 6.87122 10.622 7.00717 6.10572 numMergedOcc 0
3 mol 38 unq 1 iso 1 dist 6.87122 5.64331 7.68478 6.10572 7.00717 10.622 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.23438 5.35073 7.17488 13.5805 9.10675 10.0669 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 7.17488 5.35073 9.23438 10.0669 9.10675 13.5805 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 9.23438 10.8153 6.79356 13.5805 9.10675 4.00553 numMergedOcc 0
7 mol 58 unq 1 iso 1 dist 6.79356 10.8153 9.23438 4.00553 9.10675 13.5805 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 7.17488 8.62958 6.79356 10.0669 9.10675 4.00553 numMergedOcc 0
9 mol 58 unq 1 iso 1 dist 6.79356 8.62958 7.17488 4.00553 9.10675 10.0669 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 7.37171 8.07446 8.62079 6.41115 4.27766 5.9144 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 8.62079 8.07446 7.37171 5.9144 4.27766 6.41115 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 5.85237 8.44575 9.11768 6.92455 5.37869 8.32224 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 9.11768 8.44575 5.85237 8.32224 5.37869 6.92455 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 5.85237 8.44575 9.11768 7.01366 4.05415 6.15019 numMergedOcc 0
15 mol 85 unq 1 iso 1 dist 9.11768 8.44575 5.85237 6.15019 4.05415 7.01366 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 5.85237 8.44575 9.11768 14.8822 9.97944 12.6518 numMergedOcc 0
17 mol 85 unq 2 iso 1 dist 9.11768 8.44575 5.85237 12.6518 9.97944 14.8822 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 7.51733 6.59319 9.01607 4.99174 4.3439 8.67311 numMergedOcc 0
19 mol 95 unq 0 iso 1 dist 9.01607 6.59319 7.51733 8.67311 4.3439 4.99174 numMergedOcc 0
20 mol 95 unq 1 iso 0 dist 7.51733 6.59319 9.01607 4.46005 6.05855 3.94293 numMergedOcc 0
21 mol 95 unq 1 iso 1 dist 9.01607 6.59319 7.51733 3.94293 6.05855 4.46005 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 4.80684 8.61848 7.60162 6.30721 4.55071 10.5082 numMergedOcc 0
23 mol 119 unq 0 iso 1 dist 7.60162 8.61848 4.80684 10.5082 4.55071 6.30721 numMergedOcc 0
24 mol 142 unq 0 iso 0 dist 8.04118 5.50998 8.39035 4.67662 5.42679 5.81599 numMergedOcc 0
25 mol 142 unq 0 iso 1 dist 8.39035 5.50998 8.04118 5.81599 5.42679 4.67662 numMergedOcc 0
26 mol 147 unq 0 iso 0 dist 8.39897 7.63992 9.03078 8.57851 7.7464 9.14906 numMergedOcc 0
27 mol 147 unq 0 iso 1 dist 9.03078 7.63992 8.39897 9.14906 7.7464 8.57851 numMergedOcc 0
28 mol 147 unq 1 iso 0 dist 8.39897 7.63992 9.03078 10.5361 5.12272 8.88819 numMergedOcc 0
29 mol 147 unq 1 iso 1 dist 9.03078 7.63992 8.39897 8.88819 5.12272 10.5361 numMergedOcc 0
30 mol 168 unq 0 iso 0 dist 7.48734 7.50884 5.6125 4.67135 7.0961 9.87321 numMergedOcc 0
31 mol 168 unq 0 iso 1 dist 5.6125 7.50884 7.48734 9.87321 7.0961 4.67135 numMergedOcc 0
32 mol 168 unq 1 iso 0 dist 7.48734 7.50884 5.6125 13.2594 8.21227 10.7557 numMergedOcc 0
33 mol 168 unq 1 iso 1 dist 5.6125 7.50884 7.48734 10.7557 8.21227 13.2594 numMergedOcc 0
34 mol 168 unq 2 iso 0 dist 7.48734 7.50884 5.6125 11.6594 6.53038 5.16335 numMergedOcc 0
35 mol 168 unq 2 iso 1 dist 5.6125 7.50884 7.48734 5.16335 6.53038 11.6594 numMergedOcc 0
36 mol 194 unq 0 iso 0 dist 9.38984 4.85934 9.91118 13.9836 5.89939 15.5573 numMergedOcc 0
37 mol 194 unq 0 iso 1 dist 9.91118 4.85934 9.38984 15.5573 5.89939 13.9836 numMergedOcc 0
38 mol 194 unq 1 iso 0 dist 9.38984 4.85934 9.91118 13.9116 8.18853 16.1172 numMergedOcc 0
39 mol 194 unq 1 iso 1 dist 9.91118 4.85934 9.38984 16.1172 8.18853 13.9116 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 7.42932 7.08227 4.9764 4.40029 5.13533 3.97543 numMergedOcc 0
41 mol 277 unq 0 iso 1 dist 4.9764 7.08227 7.42932 3.97543 5.13533 4.40029 numMergedOcc 0
42 mol 278 unq 0 iso 0 dist 5.35705 5.74345 6.64378 10.0918 7.56691 6.48173 numMergedOcc 0
43 mol 278 unq 0 iso 1 dist 6.64378 5.74345 5.35705 6.48173 7.56691 10.0918 numMergedOcc 0
