0 mol 9 unq 0 iso 0 dist 8.57077 9.78006 3.98483 5.60154 8.47421 8.04924 10.6533 7.38017 6.20227 6.21879 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 5.39241 9.75144 8.62284 5.86882 10.0889 5.47982 7.22293 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 5.39241 12.4274 8.62284 5.86882 6.07553 5.47982 7.22293 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 8.66265 6.77886 6.03623 10.9467 11.5915 5.86571 9.56076 15.1703 9.53772 7.35201 numMergedOcc 0
4 mol 56 unq 1 iso 0 dist 8.66265 6.77886 6.03623 10.9467 11.5915 5.86571 11.2895 12.3361 7.3576 4.30611 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 10.0197 14.0269 9.87025 6.42493 11.8946 8.81779 4.15435 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 8.73993 8.56342 4.91132 10.6679 9.63176 5.85818 6.42493 11.8946 8.81779 9.54775 numMergedOcc 0
7 mol 119 unq 2 iso 0 dist 9.87172 7.99857 7.61939 6.35763 6.19042 9.87025 4.55137 8.20715 8.81779 4.15435 numMergedOcc 0
8 mol 119 unq 3 iso 0 dist 9.87172 7.99857 7.61939 7.36192 7.44174 5.85818 4.55137 8.20715 8.81779 9.54775 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 8.75408 8.93905 7.27181 8.94259 12.865 8.43028 12.4334 14.1585 9.23243 4.07626 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 6.44653 8.93905 10.5192 8.94259 13.6677 8.43028 12.4334 16.1123 9.23243 4.07626 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 6.03031 8.44861 5.28092 8.66809 9.19704 5.42696 12.2848 11.394 6.61806 4.13682 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 6.03031 8.44861 5.28092 8.66809 9.19704 5.42696 9.73907 7.23959 7.85966 10.0576 numMergedOcc 0
13 mol 205 unq 2 iso 0 dist 7.26832 5.60393 5.28092 6.23291 9.19704 5.42696 9.41884 11.394 6.61806 4.13682 numMergedOcc 0
14 mol 205 unq 3 iso 0 dist 7.26832 5.60393 5.28092 6.23291 9.19704 5.42696 12.3578 7.23959 7.85966 10.0576 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 9.65138 6.38157 7.38025 6.67959 10.852 5.10114 10.2428 14.454 7.48626 4.77836 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 7.14453 6.38157 9.35273 6.67959 12.6888 5.10114 10.2428 15.5922 7.48626 4.77836 numMergedOcc 0
17 mol 214 unq 2 iso 0 dist 8.85478 6.38157 5.63388 6.67959 7.46831 5.10114 10.2428 11.1906 7.48626 4.77836 numMergedOcc 0
18 mol 214 unq 3 iso 0 dist 8.82096 8.46327 10.2399 10.7373 12.3623 7.2498 15.5459 18.7398 9.734 7.71824 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 9.60993 12.9493 9.20589 6.21901 12.8593 7.14633 8.85098 numMergedOcc 0
20 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 9.60993 12.9493 9.20589 13.798 10.1659 9.94302 13.7364 numMergedOcc 0
21 mol 227 unq 2 iso 0 dist 7.22101 8.38865 11.0628 13.3557 12.3856 7.89801 6.21901 12.8593 7.14633 13.8875 numMergedOcc 0
22 mol 227 unq 3 iso 0 dist 7.22101 8.38865 11.0628 13.3557 12.3856 7.89801 13.798 10.1659 9.94302 5.45009 numMergedOcc 0
23 mol 227 unq 4 iso 0 dist 8.65997 5.4694 11.0628 5.34702 12.9493 9.20589 6.29394 12.8593 7.14633 8.85098 numMergedOcc 0
24 mol 227 unq 5 iso 0 dist 8.65997 5.4694 11.0628 5.34702 12.9493 9.20589 10.9445 10.1659 9.94302 13.7364 numMergedOcc 0
25 mol 227 unq 6 iso 0 dist 8.65997 5.4694 11.0628 8.8709 12.3856 7.89801 6.29394 12.8593 7.14633 13.8875 numMergedOcc 0
26 mol 227 unq 7 iso 0 dist 8.65997 5.4694 11.0628 8.8709 12.3856 7.89801 10.9445 10.1659 9.94302 5.45009 numMergedOcc 0
27 mol 227 unq 8 iso 0 dist 7.09863 8.38865 12.9587 9.60993 15.4174 9.20589 6.21901 13.0188 7.14633 8.85098 numMergedOcc 0
28 mol 227 unq 9 iso 0 dist 7.09863 8.38865 12.9587 9.60993 15.4174 9.20589 13.798 14.039 9.94302 13.7364 numMergedOcc 0
29 mol 227 unq 10 iso 0 dist 7.09863 8.38865 12.9587 13.3557 16.1617 7.89801 6.21901 13.0188 7.14633 13.8875 numMergedOcc 0
30 mol 227 unq 11 iso 0 dist 7.09863 8.38865 12.9587 13.3557 16.1617 7.89801 13.798 14.039 9.94302 5.45009 numMergedOcc 0
31 mol 252 unq 0 iso 0 dist 8.1148 6.11473 9.32326 4.23801 7.66365 6.57207 7.15243 10.9802 6.5058 4.17197 numMergedOcc 0
32 mol 252 unq 1 iso 0 dist 8.1148 8.47784 5.89666 4.23801 7.66365 5.2361 7.15243 10.9802 6.77555 4.17197 numMergedOcc 0
33 mol 252 unq 2 iso 0 dist 8.1148 8.47784 5.89666 13.6996 10.765 5.57515 7.15243 10.9802 6.77555 9.43565 numMergedOcc 0
34 mol 252 unq 3 iso 0 dist 8.1148 8.47784 5.89666 15.4395 13.5038 8.28694 7.15243 10.9802 6.77555 10.6687 numMergedOcc 0
35 mol 252 unq 4 iso 0 dist 8.1715 6.11473 5.72783 4.23801 10.165 6.57207 7.15243 11.7535 6.5058 4.17197 numMergedOcc 0
36 mol 252 unq 5 iso 0 dist 8.1715 8.47784 10.672 4.23801 10.165 5.2361 7.15243 11.7535 6.77555 4.17197 numMergedOcc 0
37 mol 252 unq 6 iso 0 dist 8.1715 8.47784 10.672 13.6996 15.0802 5.57515 7.15243 11.7535 6.77555 9.43565 numMergedOcc 0
38 mol 252 unq 7 iso 0 dist 8.1715 8.47784 10.672 15.4395 18.7608 8.28694 7.15243 11.7535 6.77555 10.6687 numMergedOcc 0
39 mol 261 unq 0 iso 0 dist 9.14619 5.26434 6.04016 7.49174 7.47164 9.24121 7.83541 13.0961 7.75255 14.3809 numMergedOcc 0
40 mol 261 unq 1 iso 0 dist 9.14619 5.26434 6.04016 7.49174 7.47164 9.24121 10.6727 12.4461 8.96013 15.1504 numMergedOcc 0
41 mol 261 unq 2 iso 0 dist 8.45658 8.60026 6.04016 5.22253 7.47164 9.24121 14.5304 13.0961 7.75255 14.3809 numMergedOcc 0
42 mol 261 unq 3 iso 0 dist 8.45658 8.60026 6.04016 5.22253 7.47164 9.24121 16.5975 12.4461 8.96013 15.1504 numMergedOcc 0
