0 mol 43 unq 0 iso 0 dist 8.06275 7.62357 9.02471 11.0353 4.80528 8.81562 9.83489 8.03754 3.83842 7.21995 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.90024 16.9091 9.02471 11.5942 4.80528 8.81562 14.6778 8.03754 3.83842 7.21995 numMergedOcc 0
2 mol 122 unq 0 iso 0 dist 8.47907 12.1473 4.42563 14.0011 6.28781 4.821 19.2523 11.3383 7.33765 8.9864 numMergedOcc 0
3 mol 143 unq 0 iso 0 dist 7.73769 11.099 8.64905 10.4073 5.11989 5.33772 10.9088 9.35213 3.66518 5.40826 numMergedOcc 0
4 mol 205 unq 0 iso 0 dist 8.57514 13.7017 9.31158 21.3794 14.3203 8.83628 22.9713 17.0191 9.70513 4.81837 numMergedOcc 0
5 mol 205 unq 1 iso 0 dist 8.57514 13.7017 9.31158 21.3794 14.3203 8.83628 17.7252 11.2748 6.82382 6.43519 numMergedOcc 0
6 mol 205 unq 2 iso 0 dist 6.11505 13.9601 9.31158 20.1958 14.3203 8.83628 22.7233 17.0191 9.70513 4.81837 numMergedOcc 0
7 mol 205 unq 3 iso 0 dist 6.11505 13.9601 9.31158 20.1958 14.3203 8.83628 16.2532 11.2748 6.82382 6.43519 numMergedOcc 0
8 mol 214 unq 0 iso 0 dist 7.94344 10.313 9.06459 15.8652 14.5108 9.46274 19.1675 19.5839 14.085 5.86911 numMergedOcc 0
9 mol 214 unq 1 iso 0 dist 7.94344 10.313 9.06459 15.8652 14.5108 9.46274 15.1637 17.6894 12.4498 7.89258 numMergedOcc 0
10 mol 252 unq 0 iso 0 dist 7.91348 5.45887 8.55044 5.41885 5.96471 9.09279 6.93011 13.2165 10.2121 8.19645 numMergedOcc 0
11 mol 277 unq 0 iso 0 dist 8.53324 9.7252 7.42932 12.3059 10.4297 4.1545 10.2688 9.92831 9.21484 8.15119 numMergedOcc 0
12 mol 277 unq 1 iso 0 dist 7.23956 9.7252 4.9764 12.3059 5.77904 4.1545 10.2688 4.81916 9.21484 8.15119 numMergedOcc 0
13 mol 277 unq 2 iso 0 dist 7.23956 10.5201 6.36559 12.3059 5.77904 4.25172 10.2688 4.81916 10.3506 8.15119 numMergedOcc 0
14 mol 277 unq 3 iso 0 dist 8.66941 10.3675 7.42932 14.4938 10.4297 4.1545 17.2271 9.92831 9.21484 8.15119 numMergedOcc 0
15 mol 285 unq 0 iso 0 dist 9.82717 13.8352 5.03601 15.001 9.237 7.08681 22.678 15.1926 11.2722 7.872 numMergedOcc 0
16 mol 285 unq 1 iso 0 dist 9.82717 13.8352 5.03601 15.001 9.237 7.08681 16.4251 8.46833 3.57803 6.32984 numMergedOcc 0
17 mol 285 unq 2 iso 0 dist 8.33653 7.52611 5.03601 13.1171 9.237 7.08681 14.8412 15.1926 11.2722 7.872 numMergedOcc 0
18 mol 285 unq 3 iso 0 dist 8.33653 7.52611 5.03601 13.1171 9.237 7.08681 9.74568 8.46833 3.57803 6.32984 numMergedOcc 0
19 mol 285 unq 4 iso 0 dist 6.44657 5.32175 5.03601 4.49395 9.237 7.08681 9.47966 15.1926 11.2722 7.872 numMergedOcc 0
20 mol 285 unq 5 iso 0 dist 6.44657 5.32175 5.03601 4.49395 9.237 7.08681 6.49869 8.46833 3.57803 6.32984 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 7.95849 7.22067 9.76232 4.98604 5.10722 8.73403 5.51191 9.32175 3.65914 6.45597 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 7.95849 7.22067 9.76232 4.98604 5.10722 8.73403 5.51191 9.32175 3.65914 6.45597 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 7.95849 7.22067 9.76232 4.98604 5.10722 8.73403 5.51191 9.32175 3.65914 6.45597 numMergedOcc 0
