0 mol 64 unq 0 iso 0 dist 9.82294 7.89444 5.66803 12.954 7.77991 10.0913 numMergedOcc 0
1 mol 64 unq 1 iso 0 dist 9.82294 7.89444 5.66803 6.84612 5.1488 5.68492 numMergedOcc 0
2 mol 64 unq 2 iso 0 dist 9.82294 18.0124 8.85416 12.954 7.77991 8.21081 numMergedOcc 0
3 mol 64 unq 3 iso 0 dist 9.82294 18.0124 8.85416 6.84612 5.1488 11.6323 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 5.55798 7.95422 8.61089 9.59811 9.74201 7.71809 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 5.55798 7.95422 8.61089 11.9573 8.17967 9.41403 numMergedOcc 0
6 mol 79 unq 2 iso 0 dist 5.55798 6.05149 8.64686 9.59811 9.74201 15.6024 numMergedOcc 0
7 mol 79 unq 3 iso 0 dist 5.55798 6.05149 8.64686 11.9573 8.17967 13.7118 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 8.79677 11.5575 6.54778 8.32999 6.06039 5.84883 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 8.79677 11.5575 6.54778 5.28095 9.36502 10.9953 numMergedOcc 0
10 mol 114 unq 2 iso 0 dist 8.79677 4.66388 8.57909 8.32999 6.06039 6.14032 numMergedOcc 0
11 mol 114 unq 3 iso 0 dist 8.79677 4.66388 8.57909 5.28095 9.36502 5.47189 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 9.62357 15.1223 6.61973 9.98507 9.49798 10.3223 numMergedOcc 0
13 mol 116 unq 1 iso 0 dist 9.62357 15.1223 6.61973 4.6158 8.31955 12.8624 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 5.16531 12.2874 9.52061 8.39839 9.50776 9.66773 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 6.9268 8.75242 5.79195 14.1492 8.03691 7.50288 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 6.9268 14.0828 9.2759 14.1492 8.03691 8.01541 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 6.9268 15.4372 8.76088 14.1492 8.03691 5.31306 numMergedOcc 0
18 mol 133 unq 3 iso 0 dist 8.19166 6.45333 5.79195 10.749 8.03691 7.50288 numMergedOcc 0
19 mol 133 unq 4 iso 0 dist 8.19166 11.5586 9.2759 10.749 8.03691 8.01541 numMergedOcc 0
20 mol 133 unq 5 iso 0 dist 8.19166 14.3705 8.76088 10.749 8.03691 5.31306 numMergedOcc 0
21 mol 147 unq 0 iso 0 dist 5.47265 7.75436 5.32865 5.81847 9.80032 10.7118 numMergedOcc 0
22 mol 159 unq 0 iso 0 dist 8.20121 10.242 6.86212 10.5561 9.23757 3.90437 numMergedOcc 0
23 mol 183 unq 0 iso 0 dist 6.0782 5.66126 8.97652 9.54124 8.55287 13.7069 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 6.36789 12.6035 6.72718 9.58526 7.46024 9.77203 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 7.81904 6.6097 7.91838 10.067 7.82212 8.54569 numMergedOcc 0
26 mol 195 unq 0 iso 0 dist 9.35664 10.612 7.2833 4.04021 7.87044 6.76675 numMergedOcc 0
27 mol 195 unq 1 iso 0 dist 9.04342 4.03375 5.61326 10.1769 9.40031 7.60926 numMergedOcc 0
28 mol 230 unq 0 iso 0 dist 5.19913 6.28086 9.24729 5.26751 7.08409 10.2514 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 8.17026 6.30651 5.53369 4.00719 9.31129 4.92263 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 8.43002 6.30651 8.57274 4.00719 9.77741 4.92263 numMergedOcc 0
31 mol 266 unq 0 iso 0 dist 7.3055 6.1113 6.57444 9.5105 9.35019 5.53503 numMergedOcc 0
32 mol 266 unq 1 iso 0 dist 7.3055 14.487 9.39714 9.5105 9.35019 11.3259 numMergedOcc 0
