0 mol 76 unq 0 iso 0 dist 5.25083 9.2958 4.80291 8.88157 9.98078 9.75201 7.63534 6.71804 6.45686 7.27693 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 5.25083 8.23534 7.88113 7.28582 9.42735 6.66954 7.63534 6.71804 4.3931 4.79949 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 9.27407 7.29701 8.64726 3.74136 5.89661 7.62611 10.4641 8.38283 4.4022 9.81831 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 9.27407 7.29701 8.64726 3.74136 5.89661 7.62611 11.1217 6.13065 8.96224 9.12858 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 9.27407 7.29701 8.64726 3.74136 5.89661 7.62611 9.10877 11.0971 10.3849 9.4523 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 9.9815 8.19198 4.36082 5.25155 9.76189 6.03352 13.8792 11.875 8.2619 8.93905 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 7.50959 8.65287 8.90781 4.91324 7.67321 6.95405 13.0881 13.9674 6.75397 9.28592 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 7.52211 6.6094 11.7744 5.78019 11.7393 7.25644 10.823 14.9284 11.1681 5.49226 numMergedOcc 0
8 mol 147 unq 1 iso 0 dist 7.52211 6.6094 11.7744 5.78019 11.7393 7.25644 9.23551 13.5764 5.50251 6.28351 numMergedOcc 0
9 mol 147 unq 2 iso 0 dist 7.2409 9.70579 5.93581 7.70253 7.94147 7.25644 11.5623 10.4411 11.1681 5.49226 numMergedOcc 0
10 mol 147 unq 3 iso 0 dist 7.2409 9.70579 5.93581 7.70253 7.94147 7.25644 11.0807 6.11262 5.50251 6.28351 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 8.89388 8.70622 6.22904 11.1891 10.4239 5.60528 13.9833 12.7054 6.77832 7.35824 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 8.89388 8.70622 6.22904 5.28649 9.47843 5.5995 13.9833 12.7054 6.77832 9.17364 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.99149 5.87853 5.71112 4.41466 6.86144 7.11785 7.15963 5.65167 5.6044 6.51749 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 8.99149 5.87853 5.71112 4.41466 6.86144 7.11785 11.5431 9.23179 12.9468 7.20392 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.41494 7.77211 12.8424 7.74227 13.1146 7.02575 17.566 21.9985 14.4429 9.83476 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 8.18287 9.639 9.89198 7.32929 11.7602 5.91727 6.73266 5.43761 5.86489 6.85441 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 9.03169 8.68638 15.0662 5.50333 11.0107 7.21655 10.5026 14.134 6.26382 6.04162 numMergedOcc 0
18 mol 264 unq 1 iso 0 dist 9.03169 8.68638 15.0662 5.50333 11.0107 7.21655 10.25 16.6386 5.24812 6.14323 numMergedOcc 0
