0 mol 16 unq 0 iso 0 dist 5.46498 6.58035 5.94084 8.41862 6.73355 10.9633 5.32694 7.63133 5.47769 13.0191 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 5.46498 8.41862 6.73355 6.58035 5.94084 10.9633 5.74188 8.71745 8.16785 12.1189 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.54938 8.23643 6.55187 8.78293 10.9543 12.7954 5.03957 7.82074 8.73972 12.6444 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 4.54938 8.23643 6.55187 7.82528 5.14627 11.0033 5.03957 7.82074 8.73972 10.2708 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 4.54938 7.82528 5.14627 8.78293 10.9543 14.7664 7.67038 8.4674 6.20943 13.4721 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 4.54938 7.82528 5.14627 8.23643 6.55187 11.0033 7.67038 8.4674 6.20943 14.6255 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 6.864 7.82528 4.69858 8.78293 11.4401 14.7664 7.67038 4.51865 6.20943 13.4721 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 6.864 7.82528 4.69858 8.23643 12.3093 11.0033 7.67038 4.51865 6.20943 14.6255 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.64012 6.46761 5.24906 7.58407 5.11205 6.44201 6.47414 9.4099 9.73139 6.31428 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 6.64012 7.58407 5.11205 6.46761 5.24906 6.44201 6.47414 9.4099 6.31428 9.73139 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 9.4099 9.73139 5.24906 6.31428 5.11205 6.44201 6.47414 6.64012 6.46761 7.58407 numMergedOcc 0
11 mol 58 unq 3 iso 0 dist 9.4099 6.31428 5.11205 9.73139 5.24906 6.44201 6.47414 6.64012 7.58407 6.46761 numMergedOcc 0
12 mol 58 unq 4 iso 0 dist 9.55426 6.31428 6.75888 9.73139 13.1021 6.44201 5.90225 7.32874 6.40841 10.9482 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 9.33865 9.66954 6.09023 7.64585 10.2377 12.0796 7.69052 5.83991 8.66155 12.2309 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 6.11741 9.66954 4.61908 7.64585 10.8939 12.0796 7.69052 7.88312 8.66155 12.2309 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 6.85062 6.91348 6.19596 9.51418 6.6499 10.2027 6.63273 7.12972 8.6243 12.9472 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 6.23493 7.16254 6.3845 9.86313 5.86939 7.63368 5.71071 7.46303 9.14392 7.51198 numMergedOcc 0
17 mol 155 unq 1 iso 0 dist 6.23493 9.86313 5.86939 7.16254 6.3845 7.63368 5.71071 7.46303 7.51198 9.14392 numMergedOcc 0
18 mol 155 unq 2 iso 0 dist 7.46303 9.14392 6.3845 7.51198 5.86939 7.63368 5.71071 6.23493 7.16254 9.86313 numMergedOcc 0
19 mol 155 unq 3 iso 0 dist 7.46303 7.51198 5.86939 9.14392 6.3845 7.63368 5.71071 6.23493 9.86313 7.16254 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 8.95269 6.67585 5.29877 7.06793 9.36098 6.88258 4.70378 6.57273 6.65984 10.0414 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 8.65997 6.95902 6.43754 9.62609 14.6185 8.55671 5.22356 7.22101 8.17891 13.4493 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 9.45496 7.85175 11.216 9.5707 15.9563 5.32617 5.88703 6.56247 6.25105 10.3388 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 6.7625 7.85175 11.4315 9.5707 14.4106 5.32617 5.88703 9.36357 6.25105 10.3388 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 8.03456 7.17676 11.8759 6.68463 9.07822 7.88539 7.28249 9.81562 5.34718 10.5713 numMergedOcc 0
25 mol 236 unq 1 iso 0 dist 6.84306 7.17676 11.3552 6.68463 11.6837 7.88539 7.28249 7.68742 5.34718 10.5713 numMergedOcc 0
26 mol 236 unq 2 iso 0 dist 9.99038 7.17676 6.04825 6.68463 8.8265 7.88539 7.28249 6.27581 5.34718 10.5713 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 7.31233 7.19008 5.17471 6.55759 10.4664 12.1411 5.34096 6.22714 7.49471 10.5202 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 7.31233 7.19008 5.17471 7.02475 11.2717 10.1756 5.34096 6.22714 7.49471 12.1784 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 7.31233 7.19008 5.17471 7.67322 12.6986 9.50847 5.34096 6.22714 7.49471 12.1937 numMergedOcc 0
30 mol 272 unq 0 iso 0 dist 8.46116 9.09992 5.63139 6.16449 8.52877 9.75529 5.40809 8.33638 6.73206 10.1966 numMergedOcc 0
