0 mol 12 unq 0 iso 0 dist 6.13335 5.93993 5.44478 8.3933 5.70264 8.15864 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 9.56015 5.24476 7.14979 7.48334 5.15367 7.44913 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.49518 12.6218 6.57749 16.546 9.09097 6.12267 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 8.49518 12.6218 6.57749 15.0451 7.29064 8.43162 numMergedOcc 0
4 mol 96 unq 0 iso 0 dist 8.05324 4.29979 5.5851 12.4283 9.81613 8.9056 numMergedOcc 0
5 mol 124 unq 0 iso 0 dist 9.08158 4.04981 6.31232 6.31955 8.28232 7.18976 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.86332 11.8191 4.46578 18.811 10.008 8.76088 numMergedOcc 0
7 mol 136 unq 0 iso 0 dist 6.6829 9.61557 9.67457 9.87892 6.29723 8.41727 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 6.44701 3.86862 5.86949 11.9921 12.2411 9.18753 numMergedOcc 0
9 mol 148 unq 1 iso 0 dist 7.33878 11.6307 8.60157 11.9921 6.76353 8.6953 numMergedOcc 0
10 mol 148 unq 2 iso 0 dist 7.33878 3.86862 6.72591 11.9921 6.76353 9.18753 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 6.49658 3.90931 5.84971 12.0046 12.1573 9.15244 numMergedOcc 0
12 mol 150 unq 1 iso 0 dist 7.48646 11.7414 8.59359 12.0046 6.65519 8.65967 numMergedOcc 0
13 mol 150 unq 2 iso 0 dist 7.48646 3.90931 6.80192 12.0046 6.65519 9.15244 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 9.66949 7.43284 6.45502 15.8241 13.5755 9.38856 numMergedOcc 0
15 mol 160 unq 0 iso 0 dist 9.5 7.26169 5.13415 13.8479 4.95728 8.1876 numMergedOcc 0
16 mol 198 unq 0 iso 0 dist 9.81188 13.3213 7.91967 18.895 9.72265 9.87574 numMergedOcc 0
17 mol 198 unq 1 iso 0 dist 4.39804 6.10549 7.83611 15.4782 17.1351 9.87574 numMergedOcc 0
18 mol 198 unq 2 iso 0 dist 9.77781 16.0209 7.83611 25.8894 17.1351 9.87574 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 9.71975 8.26563 7.5696 13.9539 9.55695 6.20044 numMergedOcc 0
20 mol 204 unq 1 iso 0 dist 9.71975 8.26563 7.5696 15.1754 7.67211 8.41232 numMergedOcc 0
21 mol 204 unq 2 iso 0 dist 6.69026 8.66568 9.3369 16.6301 13.6696 9.90757 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 5.45548 8.78538 9.66533 12.7743 13.587 4.36421 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 8.99521 4.09525 7.6174 8.90583 5.92917 8.74399 numMergedOcc 0
24 mol 272 unq 0 iso 0 dist 9.30647 17.857 9.10712 15.1983 7.57685 7.90763 numMergedOcc 0
