0 mol 8 unq 0 iso 0 dist 4.92734 7.35767 8.96553 9.91124 7.3915 7.43529 6.57999 8.4069 9.62879 10.6335 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.31271 10.3326 9.04767 9.3765 9.58855 10.6873 13.6817 5.67201 9.7022 14.3883 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 9.31271 10.3326 9.04767 9.3765 9.58855 10.6873 13.1379 4.53725 9.58196 10.3349 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 12.1567 6.72502 6.58998 17.2959 10.0952 6.86014 10.7114 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 8.33667 9.93832 9.06158 10.615 8.13395 6.20293 8.60739 numMergedOcc 0
5 mol 52 unq 0 iso 0 dist 7.70026 13.9113 7.34143 11.1113 9.9052 8.9759 16.3413 9.162 9.80098 16.7829 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 16.0036 8.73253 8.26458 10.1112 5.4148 9.96396 7.04044 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.124 13.4367 6.19304 16.0036 8.73253 8.26458 19.5696 13.3558 8.70481 10.3244 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 8.16299 10.3774 8.70481 11.9686 8.85586 14.8866 11.0108 14.9342 9.96396 16.8706 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 8.16299 10.3774 8.70481 11.9686 8.85586 14.8866 10.9082 13.3558 6.19304 18.0011 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 8.16299 10.3774 8.70481 11.4934 7.11 8.05119 11.0108 14.9342 9.96396 12.4407 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 8.16299 10.3774 8.70481 11.4934 7.11 8.05119 10.9082 13.3558 6.19304 12.0613 numMergedOcc 0
12 mol 73 unq 6 iso 0 dist 8.27015 12.6626 8.70481 16.4476 8.85586 14.8866 20.562 14.9342 9.96396 16.8706 numMergedOcc 0
13 mol 73 unq 7 iso 0 dist 8.27015 12.6626 8.70481 16.4476 8.85586 14.8866 17.327 13.3558 6.19304 18.0011 numMergedOcc 0
14 mol 73 unq 8 iso 0 dist 8.27015 12.6626 8.70481 14.727 7.11 8.05119 20.562 14.9342 9.96396 12.4407 numMergedOcc 0
15 mol 73 unq 9 iso 0 dist 8.27015 12.6626 8.70481 14.727 7.11 8.05119 17.327 13.3558 6.19304 12.0613 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 9.57933 9.00544 14.9392 15.3021 8.8807 6.65086 17.8663 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 9.57933 9.00544 14.9392 18.6091 12.6515 6.56369 20.2183 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 9.57933 9.00544 14.9392 19.8697 13.887 9.30209 22.6977 numMergedOcc 0
19 mol 100 unq 3 iso 0 dist 8.92577 12.0555 7.47343 7.04774 7.12017 12.6602 15.3021 8.8807 6.65086 12.6061 numMergedOcc 0
20 mol 100 unq 4 iso 0 dist 8.92577 12.0555 7.47343 7.04774 7.12017 12.6602 18.6091 12.6515 6.56369 18.4011 numMergedOcc 0
21 mol 100 unq 5 iso 0 dist 8.92577 12.0555 7.47343 7.04774 7.12017 12.6602 19.8697 13.887 9.30209 17.8494 numMergedOcc 0
22 mol 100 unq 6 iso 0 dist 9.56324 16.8752 7.47343 6.95888 9.00544 14.9392 17.1897 8.8807 6.65086 17.8663 numMergedOcc 0
23 mol 100 unq 7 iso 0 dist 9.56324 16.8752 7.47343 6.95888 9.00544 14.9392 21.2171 12.6515 6.56369 20.2183 numMergedOcc 0
24 mol 100 unq 8 iso 0 dist 9.56324 16.8752 7.47343 6.95888 9.00544 14.9392 22.2677 13.887 9.30209 22.6977 numMergedOcc 0
25 mol 100 unq 9 iso 0 dist 9.56324 16.8752 7.47343 10.3606 7.12017 12.6602 17.1897 8.8807 6.65086 12.6061 numMergedOcc 0
26 mol 100 unq 10 iso 0 dist 9.56324 16.8752 7.47343 10.3606 7.12017 12.6602 21.2171 12.6515 6.56369 18.4011 numMergedOcc 0
27 mol 100 unq 11 iso 0 dist 9.56324 16.8752 7.47343 10.3606 7.12017 12.6602 22.2677 13.887 9.30209 17.8494 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 9.33945 12.3624 8.40312 11.8905 8.86329 5.89022 14.2573 5.55373 7.12972 8.71039 numMergedOcc 0
29 mol 131 unq 1 iso 0 dist 9.33945 12.3624 8.40312 11.8905 8.86329 5.89022 17.4482 10.7062 6.85062 11.6142 numMergedOcc 0
30 mol 131 unq 2 iso 0 dist 8.99949 11.3502 6.85062 14.8405 9.29384 9.32969 18.591 10.7062 8.40312 11.4206 numMergedOcc 0
31 mol 131 unq 3 iso 0 dist 8.99949 11.3502 6.85062 14.8405 9.29384 9.32969 15.0798 6.63273 7.12972 6.92648 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 5.57904 7.41837 6.54501 5.98568 5.53031 5.35679 11.3191 5.79898 9.89303 10.0513 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 5.57904 6.50005 6.49416 5.98568 5.53031 8.46636 12.3933 8.80819 8.94367 13.9396 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 5.57904 6.50005 6.49416 5.98568 5.53031 8.46636 7.27598 5.00817 6.37586 10.1537 numMergedOcc 0
35 mol 205 unq 0 iso 0 dist 6.15806 10.6362 7.26832 6.37333 5.60393 5.28092 12.9169 7.38516 6.03031 8.44861 numMergedOcc 0
36 mol 205 unq 1 iso 0 dist 6.15806 10.6362 7.26832 6.37333 5.60393 5.28092 17.5925 13.8543 7.80463 11.3521 numMergedOcc 0
37 mol 222 unq 0 iso 0 dist 8.7419 5.01062 6.00706 7.26742 7.862 6.42798 8.5834 6.8425 7.54212 12.5287 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 11.2986 8.38865 11.0628 15.2062 6.99063 9.34734 12.9778 numMergedOcc 0
39 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 11.2986 8.38865 11.0628 12.0857 5.22356 8.65997 5.4694 numMergedOcc 0
40 mol 227 unq 2 iso 0 dist 9.60159 7.51316 7.22101 11.2986 8.38865 11.0628 14.9745 10.8658 7.56888 13.9676 numMergedOcc 0
41 mol 227 unq 3 iso 0 dist 9.60159 7.51316 7.22101 11.2986 8.38865 11.0628 14.7829 12.4689 7.55216 16.9219 numMergedOcc 0
42 mol 227 unq 4 iso 0 dist 7.71761 5.841 7.55216 8.14937 5.87815 10.6244 14.1483 9.51866 9.34734 13.9889 numMergedOcc 0
43 mol 227 unq 5 iso 0 dist 7.71761 5.841 7.55216 8.14937 5.87815 10.6244 12.9898 12.4689 7.22101 16.0894 numMergedOcc 0
44 mol 227 unq 6 iso 0 dist 7.71761 5.841 7.55216 8.14937 5.87815 10.6244 14.1659 12.9332 8.65997 17.8603 numMergedOcc 0
45 mol 227 unq 7 iso 0 dist 7.71761 5.841 7.55216 8.14937 5.87815 10.6244 9.8971 4.48529 7.56888 10.3595 numMergedOcc 0
46 mol 253 unq 0 iso 0 dist 8.68368 8.25257 6.73034 14.7937 9.66465 6.89124 9.02643 8.02948 8.31064 13.1441 numMergedOcc 0
47 mol 258 unq 0 iso 0 dist 8.21585 5.13233 6.42289 12.2193 7.99477 7.42673 10.7821 7.26417 6.60405 6.70815 numMergedOcc 0
48 mol 258 unq 1 iso 0 dist 8.21585 5.13233 6.42289 8.45446 7.86627 6.44209 10.7821 7.26417 6.60405 11.184 numMergedOcc 0
49 mol 272 unq 0 iso 0 dist 7.31993 10.4451 8.46116 11.4436 9.19033 13.5034 12.3168 5.40809 8.33638 11.9971 numMergedOcc 0
