0 mol 46 unq 0 iso 0 dist 7.57749 7.35107 6.03151 14.3993 9.9787 7.18614 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 8.55202 8.85515 6.03151 4.53545 9.9787 7.18614 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 7.93171 5.16581 5.62688 7.82856 9.2898 5.02731 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 6.63973 15.1383 9.78762 9.42791 8.23026 10.2292 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 5.73799 6.32585 7.81965 5.65355 7.07095 4.8513 numMergedOcc 0
5 mol 89 unq 0 iso 0 dist 7.55644 4.78712 5.10735 6.46605 6.53308 4.77072 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.33961 8.19607 6.74197 11.1668 9.64383 12.31 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.33961 8.19607 6.74197 12.7318 7.54889 11.0642 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 5.33961 8.19607 6.74197 12.3835 7.78931 7.71768 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 7.34638 11.1108 4.79891 10.4417 7.02507 4.72129 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 6.0995 9.17639 4.79891 9.63267 7.02507 4.72129 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 9.29816 13.8287 6.74197 5.70962 9.64383 12.31 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 9.29816 13.8287 6.74197 14.676 7.54889 11.0642 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 9.29816 13.8287 6.74197 16.3389 7.78931 7.71768 numMergedOcc 0
14 mol 98 unq 8 iso 0 dist 5.08983 4.67787 6.74197 10.1978 9.64383 12.31 numMergedOcc 0
15 mol 98 unq 9 iso 0 dist 5.08983 4.67787 6.74197 7.1452 7.54889 11.0642 numMergedOcc 0
16 mol 98 unq 10 iso 0 dist 5.08983 4.67787 6.74197 4.96747 7.78931 7.71768 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 6.67635 5.60821 5.58623 10.0698 7.86666 5.25186 numMergedOcc 0
18 mol 109 unq 1 iso 0 dist 6.67635 5.60821 5.58623 11.8455 9.77497 13.5568 numMergedOcc 0
19 mol 112 unq 0 iso 0 dist 4.77996 4.59061 7.77418 4.34071 5.56994 6.95852 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 6.53559 8.56696 8.46972 6.43966 5.51197 10.1294 numMergedOcc 0
21 mol 129 unq 1 iso 0 dist 8.09774 9.22336 8.46972 5.56946 5.51197 10.1294 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 5.82945 5.76927 9.58844 3.96103 6.93139 7.21973 numMergedOcc 0
23 mol 144 unq 0 iso 0 dist 7.46026 12.3102 6.03283 4.6812 7.64028 10.6591 numMergedOcc 0
24 mol 155 unq 0 iso 0 dist 7.25009 11.1511 8.14405 10.4606 8.97626 7.92939 numMergedOcc 0
25 mol 168 unq 0 iso 0 dist 7.30338 5.97401 5.21801 12.1014 6.02086 7.26802 numMergedOcc 0
26 mol 184 unq 0 iso 0 dist 8.27396 11.2463 9.07247 4.41193 5.96423 7.25468 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 6.32334 4.61429 5.31916 6.31508 6.99769 8.98459 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 6.32334 4.61429 5.31916 5.72088 8.79428 9.81806 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 6.32334 4.61429 5.31916 6.51315 6.8692 5.99647 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 7.15079 12.746 9.40401 4.37547 9.30212 11.1036 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 7.15079 10.9845 5.64169 4.37547 9.30212 11.5127 numMergedOcc 0
