0 mol 32 unq 0 iso 0 dist 8.68559 7.26268 5.57199 7.93694 7.18766 10.1386 10.7345 7.11053 11.9642 5.19476 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 8.68559 7.26268 5.57199 6.68431 7.48825 8.74576 10.7345 7.11053 11.9642 8.73368 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 7.45237 8.70192 10.5834 6.42104 8.43814 14.3743 9.26784 8.94353 17.0626 3.82528 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 7.45237 8.70192 10.5834 6.42104 8.43814 14.3743 10.2083 7.30265 14.8778 10.9581 numMergedOcc 0
4 mol 39 unq 2 iso 0 dist 7.45237 8.70192 10.5834 6.42248 8.16689 14.1214 9.26784 8.94353 17.0626 6.18816 numMergedOcc 0
5 mol 39 unq 3 iso 0 dist 7.45237 8.70192 10.5834 6.42248 8.16689 14.1214 10.2083 7.30265 14.8778 6.18136 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 8.624 9.74228 9.88768 6.00418 9.19459 9.14817 5.72408 9.37102 13.1318 5.11318 numMergedOcc 0
7 mol 72 unq 1 iso 0 dist 8.624 9.74228 9.88768 6.00418 9.19459 9.14817 3.94376 5.4605 10.6668 6.74416 numMergedOcc 0
8 mol 72 unq 2 iso 0 dist 8.624 9.74228 9.88768 6.00418 9.19459 9.14817 6.19288 6.53824 10.9996 10.7904 numMergedOcc 0
9 mol 72 unq 3 iso 0 dist 6.77912 7.12321 9.88768 9.0131 9.19459 9.14817 10.0679 9.37102 13.1318 5.11318 numMergedOcc 0
10 mol 72 unq 4 iso 0 dist 6.77912 7.12321 9.88768 9.0131 9.19459 9.14817 5.69391 5.4605 10.6668 6.74416 numMergedOcc 0
11 mol 72 unq 5 iso 0 dist 6.77912 7.12321 9.88768 9.0131 9.19459 9.14817 4.03844 6.53824 10.9996 10.7904 numMergedOcc 0
12 mol 72 unq 6 iso 0 dist 7.321 9.55118 6.74416 7.11552 9.19459 5.4605 7.47371 9.14817 10.6668 9.88768 numMergedOcc 0
13 mol 72 unq 7 iso 0 dist 7.321 9.55118 6.74416 7.11552 9.19459 5.4605 9.67587 9.76686 12.6707 12.9007 numMergedOcc 0
14 mol 72 unq 8 iso 0 dist 7.321 9.55118 6.74416 7.11552 9.19459 5.4605 7.07356 9.437 13.7925 12.9235 numMergedOcc 0
15 mol 72 unq 9 iso 0 dist 7.321 9.55118 6.74416 7.17489 8.59747 6.7272 7.47371 9.14817 10.6668 12.6041 numMergedOcc 0
16 mol 72 unq 10 iso 0 dist 7.321 9.55118 6.74416 7.17489 8.59747 6.7272 9.67587 9.76686 12.6707 15.1279 numMergedOcc 0
17 mol 72 unq 11 iso 0 dist 7.321 9.55118 6.74416 7.17489 8.59747 6.7272 7.07356 9.437 13.7925 13.879 numMergedOcc 0
18 mol 72 unq 12 iso 0 dist 7.321 9.10345 5.63793 7.11552 9.19459 10.8476 7.47371 9.14817 13.9797 9.88768 numMergedOcc 0
19 mol 72 unq 13 iso 0 dist 7.321 9.10345 5.63793 7.11552 9.19459 10.8476 9.67587 9.76686 14.9302 12.9007 numMergedOcc 0
20 mol 72 unq 14 iso 0 dist 7.321 9.10345 5.63793 7.11552 9.19459 10.8476 7.07356 9.437 13.1216 12.9235 numMergedOcc 0
21 mol 72 unq 15 iso 0 dist 7.321 9.10345 5.63793 7.17489 8.59747 7.64009 7.47371 9.14817 13.9797 12.6041 numMergedOcc 0
22 mol 72 unq 16 iso 0 dist 7.321 9.10345 5.63793 7.17489 8.59747 7.64009 9.67587 9.76686 14.9302 15.1279 numMergedOcc 0
23 mol 72 unq 17 iso 0 dist 7.321 9.10345 5.63793 7.17489 8.59747 7.64009 7.07356 9.437 13.1216 13.879 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 7.76729 6.24825 5.78043 6.34759 7.99631 10.2461 6.63111 8.0168 7.65564 6.04071 numMergedOcc 0
25 mol 115 unq 1 iso 0 dist 7.76729 6.24825 5.78043 10.2377 6.40036 7.65255 6.63111 8.0168 7.65564 5.65471 numMergedOcc 0
26 mol 115 unq 2 iso 0 dist 7.64585 6.39384 5.65471 10.7942 6.40036 8.0168 6.95773 7.65255 7.65564 5.78043 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 8.94837 9.00918 5.58312 5.9915 6.4218 5.73203 11.5407 5.52149 9.54071 11.3936 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 8.94837 7.99477 9.61537 5.9915 6.4218 6.57379 11.5407 5.52149 13.1518 11.3936 numMergedOcc 0
29 mol 213 unq 0 iso 0 dist 8.45368 7.94911 5.9858 11.1059 8.74171 11.2873 4.72944 5.461 7.90657 7.09198 numMergedOcc 0
30 mol 213 unq 1 iso 0 dist 9.59129 8.21793 4.89372 12.2579 8.74171 12.1094 10.1881 5.461 9.67366 7.09198 numMergedOcc 0
31 mol 225 unq 0 iso 0 dist 5.50387 8.1945 3.92979 10.7506 8.75834 8.91356 4.7456 5.93063 9.81207 11.3004 numMergedOcc 0
32 mol 225 unq 1 iso 0 dist 5.50387 8.1945 3.92979 7.12954 9.36396 9.59574 4.7456 5.93063 9.81207 11.0634 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 9.62609 6.91318 11.5454 8.8709 6.152 11.5426 14.6485 9.8009 15.751 5.99236 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 8.17891 5.23634 4.09934 13.3557 7.95168 11.5426 4.1511 7.79951 6.09335 12.0749 numMergedOcc 0
35 mol 227 unq 2 iso 0 dist 6.95902 6.91318 4.09934 8.8709 7.95168 11.5426 4.69247 7.79951 6.09335 12.0749 numMergedOcc 0
36 mol 234 unq 0 iso 0 dist 9.5707 7.81215 11.8229 5.56749 8.49841 9.11572 3.95629 8.27411 11.2575 6.00588 numMergedOcc 0
37 mol 234 unq 1 iso 0 dist 9.5707 7.81215 11.8229 5.56749 8.49841 9.11572 15.9732 6.96257 15.8278 14.8966 numMergedOcc 0
38 mol 234 unq 2 iso 0 dist 9.5707 7.81215 11.8229 12.1076 9.6101 7.20293 3.95629 8.27411 11.2575 13.9373 numMergedOcc 0
39 mol 234 unq 3 iso 0 dist 9.5707 7.81215 11.8229 12.1076 9.6101 7.20293 15.9732 6.96257 15.8278 10.72 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 7.02475 9.12776 13.037 8.82861 6.65088 9.84652 10.4966 6.85253 15.1027 6.29757 numMergedOcc 0
41 mol 238 unq 1 iso 0 dist 7.67322 9.12776 9.75095 8.82861 6.5772 9.84652 5.71717 7.39547 4.66186 9.79637 numMergedOcc 0
42 mol 238 unq 2 iso 0 dist 7.19008 9.12776 6.12722 8.82861 6.17025 9.84652 11.0772 5.43613 9.51483 4.02449 numMergedOcc 0
43 mol 238 unq 3 iso 0 dist 7.19008 9.12776 6.12722 8.82861 6.17025 9.84652 5.71717 7.24334 4.66186 9.79637 numMergedOcc 0
