0 mol 54 unq 0 iso 0 dist 9.43268 4.71331 6.77145 4.74723 8.6777 5.40127 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 9.43268 7.70819 4.87397 4.74723 8.6777 9.22563 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 5.48766 7.64033 7.92027 5.4275 9.1926 12.8256 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 6.24764 11.6877 9.66549 10.8634 8.15861 13.2781 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 6.24764 11.6877 9.66549 11.7351 9.27814 7.41484 numMergedOcc 0
5 mol 96 unq 0 iso 0 dist 8.36933 3.90089 7.57442 13.8839 7.22615 11.4071 numMergedOcc 0
6 mol 96 unq 1 iso 0 dist 8.36933 13.7095 8.73938 13.8839 7.22615 5.76401 numMergedOcc 0
7 mol 96 unq 2 iso 0 dist 7.05183 3.90089 9.01153 6.10205 8.95766 5.50138 numMergedOcc 0
8 mol 96 unq 3 iso 0 dist 7.05183 3.90089 9.01153 10.0347 8.6548 9.52825 numMergedOcc 0
9 mol 96 unq 4 iso 0 dist 6.68473 8.05248 7.57442 3.92234 7.22615 11.4071 numMergedOcc 0
10 mol 96 unq 5 iso 0 dist 6.68473 5.31466 8.73938 3.92234 7.22615 5.76401 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 6.95777 3.97596 9.42444 4.39733 9.75833 4.93451 numMergedOcc 0
12 mol 103 unq 1 iso 0 dist 6.95777 8.25761 9.64736 4.39733 9.75833 6.12524 numMergedOcc 0
13 mol 110 unq 0 iso 0 dist 7.03608 4.1514 8.36172 8.60792 7.59747 6.88119 numMergedOcc 0
14 mol 146 unq 0 iso 0 dist 8.64781 3.96561 5.3184 5.64529 8.91908 4.74818 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 9.56732 6.59965 7.38022 6.64891 9.08818 6.03974 numMergedOcc 0
16 mol 218 unq 1 iso 0 dist 9.56732 6.59965 7.38022 4.74501 8.5163 3.49762 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 9.21721 13.6874 9.58385 14.6218 8.52735 3.49673 numMergedOcc 0
18 mol 225 unq 1 iso 0 dist 9.21721 13.6874 9.58385 8.58432 5.65735 7.3107 numMergedOcc 0
19 mol 225 unq 2 iso 0 dist 9.21721 14.212 6.83539 14.6218 8.52735 3.42123 numMergedOcc 0
20 mol 225 unq 3 iso 0 dist 9.21721 14.212 6.83539 8.58432 5.65735 6.9328 numMergedOcc 0
21 mol 225 unq 4 iso 0 dist 9.21721 12.0928 6.22747 14.6218 8.52735 5.59654 numMergedOcc 0
22 mol 225 unq 5 iso 0 dist 9.21721 12.0928 6.22747 8.58432 5.65735 3.90226 numMergedOcc 0
23 mol 225 unq 6 iso 0 dist 9.21721 5.21233 9.21404 14.6218 8.52735 14.7084 numMergedOcc 0
24 mol 225 unq 7 iso 0 dist 9.21721 5.21233 9.21404 8.58432 5.65735 6.59432 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 6.14231 11.3988 8.73749 11.3526 6.67548 4.95134 numMergedOcc 0
26 mol 264 unq 1 iso 0 dist 6.14231 11.3988 8.73749 8.93485 5.57579 4.79249 numMergedOcc 0
27 mol 264 unq 2 iso 0 dist 4.68488 5.74965 8.73749 6.26054 6.67548 4.95134 numMergedOcc 0
28 mol 264 unq 3 iso 0 dist 4.68488 5.74965 8.73749 3.81537 5.57579 4.79249 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 7.59505 5.48077 9.37044 5.28038 8.4625 9.99481 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 8.62338 7.99722 8.19213 7.52677 8.15636 8.78444 numMergedOcc 0
31 mol 287 unq 2 iso 0 dist 8.62338 7.99722 8.19213 9.46641 7.86292 3.7428 numMergedOcc 0
32 mol 287 unq 3 iso 0 dist 8.62338 12.9629 5.80664 7.52677 8.15636 12.0542 numMergedOcc 0
33 mol 287 unq 4 iso 0 dist 8.62338 12.9629 5.80664 9.46641 7.86292 8.10528 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 7.59505 5.48077 9.37044 5.28038 8.4625 9.99481 numMergedOcc 0
35 mol 288 unq 1 iso 0 dist 8.62338 7.99722 8.19213 7.52677 8.15636 8.78444 numMergedOcc 0
36 mol 288 unq 2 iso 0 dist 8.62338 7.99722 8.19213 9.46641 7.86292 3.7428 numMergedOcc 0
37 mol 288 unq 3 iso 0 dist 8.62338 12.9629 5.80664 7.52677 8.15636 12.0542 numMergedOcc 0
38 mol 288 unq 4 iso 0 dist 8.62338 12.9629 5.80664 9.46641 7.86292 8.10528 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 7.59505 5.48077 9.37044 5.28038 8.4625 9.99481 numMergedOcc 0
40 mol 289 unq 1 iso 0 dist 8.62338 7.99722 8.19213 7.52677 8.15636 8.78444 numMergedOcc 0
41 mol 289 unq 2 iso 0 dist 8.62338 7.99722 8.19213 9.46641 7.86292 3.7428 numMergedOcc 0
42 mol 289 unq 3 iso 0 dist 8.62338 12.9629 5.80664 7.52677 8.15636 12.0542 numMergedOcc 0
43 mol 289 unq 4 iso 0 dist 8.62338 12.9629 5.80664 9.46641 7.86292 8.10528 numMergedOcc 0
