0 mol 9 unq 0 iso 0 dist 9.78006 5.60154 8.04924 10.6533 6.20227 6.21879 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.60423 5.39241 8.62284 5.86882 5.47982 7.22293 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.83786 4.51549 8.62284 4.56797 5.47982 7.22293 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 8.7817 10.8374 8.58568 14.3077 7.57624 8.06019 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 7.55415 7.95173 8.58568 10.3139 7.57624 8.06019 numMergedOcc 0
5 mol 42 unq 0 iso 0 dist 9.53458 11.1435 6.25866 7.72347 6.83373 4.04769 numMergedOcc 0
6 mol 42 unq 1 iso 0 dist 9.16649 9.34878 6.25866 5.65461 6.83373 4.04769 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 6.77886 10.9467 5.86571 9.56076 9.53772 7.35201 numMergedOcc 0
8 mol 56 unq 1 iso 0 dist 6.77886 10.9467 5.86571 11.2895 7.3576 4.30611 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.65802 12.3813 9.20197 5.44942 9.93806 10.1497 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 7.71107 7.59143 9.41723 6.3561 6.98727 4.98364 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 7.99857 6.35763 9.87025 4.55137 8.81779 4.15435 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 7.99857 7.36192 5.85818 4.55137 8.81779 9.54775 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 8.56342 10.0197 9.87025 6.42493 8.81779 4.15435 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 8.56342 10.6679 5.85818 6.42493 8.81779 9.54775 numMergedOcc 0
15 mol 120 unq 0 iso 0 dist 8.93905 8.94259 8.43028 12.4334 9.23243 4.07626 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 9.02318 12.144 8.12589 5.29844 6.49708 12.0468 numMergedOcc 0
17 mol 148 unq 1 iso 0 dist 9.74542 10.2478 8.12589 6.55924 6.49708 12.0468 numMergedOcc 0
18 mol 148 unq 2 iso 0 dist 7.97543 6.29254 8.12589 9.61708 6.49708 12.0468 numMergedOcc 0
19 mol 150 unq 0 iso 0 dist 9.6606 10.2318 8.11592 6.62435 6.45018 12.1191 numMergedOcc 0
20 mol 150 unq 1 iso 0 dist 7.85526 6.25747 8.11592 9.72618 6.45018 12.1191 numMergedOcc 0
21 mol 150 unq 2 iso 0 dist 8.94552 12.154 8.11592 5.50847 6.45018 12.1191 numMergedOcc 0
22 mol 158 unq 0 iso 0 dist 7.88319 6.63727 6.39981 12.9396 9.38045 6.39711 numMergedOcc 0
23 mol 159 unq 0 iso 0 dist 7.25742 4.57561 7.13269 7.44124 8.02691 7.15698 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 7.71426 8.08908 5.73148 8.62666 7.75632 10.2914 numMergedOcc 0
25 mol 171 unq 1 iso 0 dist 5.10618 6.05805 5.73148 11.8746 7.75632 10.2914 numMergedOcc 0
26 mol 171 unq 2 iso 0 dist 9.86681 8.83561 5.73148 9.0509 7.75632 10.2914 numMergedOcc 0
27 mol 194 unq 0 iso 0 dist 6.26839 15.9311 9.77862 11.1912 7.39369 8.35231 numMergedOcc 0
28 mol 194 unq 1 iso 0 dist 8.12346 13.7758 9.77862 6.11279 7.39369 8.35231 numMergedOcc 0
29 mol 194 unq 2 iso 0 dist 8.83356 5.38925 9.77862 9.99597 7.39369 8.35231 numMergedOcc 0
30 mol 194 unq 3 iso 0 dist 8.2654 14.2415 9.77862 9.50345 7.39369 8.35231 numMergedOcc 0
31 mol 205 unq 0 iso 0 dist 8.44861 8.66809 5.42696 12.2848 6.61806 4.13682 numMergedOcc 0
32 mol 205 unq 1 iso 0 dist 8.44861 8.66809 5.42696 9.73907 7.85966 10.0576 numMergedOcc 0
33 mol 205 unq 2 iso 0 dist 5.60393 6.23291 5.42696 9.41884 6.61806 4.13682 numMergedOcc 0
34 mol 205 unq 3 iso 0 dist 5.60393 6.23291 5.42696 12.3578 7.85966 10.0576 numMergedOcc 0
35 mol 214 unq 0 iso 0 dist 7.05523 7.62375 7.2498 3.7112 9.734 7.71824 numMergedOcc 0
36 mol 214 unq 1 iso 0 dist 6.38157 6.67959 5.10114 10.2428 7.48626 4.77836 numMergedOcc 0
37 mol 214 unq 2 iso 0 dist 8.46327 10.7373 7.2498 15.5459 9.734 7.71824 numMergedOcc 0
38 mol 218 unq 0 iso 0 dist 8.0751 7.35842 6.23898 7.79008 6.45821 7.51787 numMergedOcc 0
39 mol 225 unq 0 iso 0 dist 9.18895 9.60485 7.95883 6.71553 7.87985 5.317 numMergedOcc 0
40 mol 225 unq 1 iso 0 dist 6.6561 8.69249 5.13453 10.225 9.33639 5.317 numMergedOcc 0
41 mol 225 unq 2 iso 0 dist 8.87609 5.06326 7.29542 11.7207 9.18343 13.6736 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 8.38865 9.60993 9.20589 6.21901 7.14633 8.85098 numMergedOcc 0
43 mol 227 unq 1 iso 0 dist 8.38865 9.60993 9.20589 13.798 9.94302 13.7364 numMergedOcc 0
44 mol 227 unq 2 iso 0 dist 8.38865 13.3557 7.89801 6.21901 7.14633 13.8875 numMergedOcc 0
45 mol 227 unq 3 iso 0 dist 8.38865 13.3557 7.89801 13.798 9.94302 5.45009 numMergedOcc 0
46 mol 227 unq 4 iso 0 dist 5.4694 5.34702 9.20589 6.29394 7.14633 8.85098 numMergedOcc 0
47 mol 227 unq 5 iso 0 dist 5.4694 5.34702 9.20589 10.9445 9.94302 13.7364 numMergedOcc 0
48 mol 227 unq 6 iso 0 dist 5.4694 8.8709 7.89801 6.29394 7.14633 13.8875 numMergedOcc 0
49 mol 227 unq 7 iso 0 dist 5.4694 8.8709 7.89801 10.9445 9.94302 5.45009 numMergedOcc 0
50 mol 230 unq 0 iso 0 dist 9.09271 11.2344 8.85215 15.5042 7.74885 10.0105 numMergedOcc 0
51 mol 230 unq 1 iso 0 dist 7.44838 8.44099 8.85215 11.3478 7.74885 10.0105 numMergedOcc 0
52 mol 240 unq 0 iso 0 dist 9.47583 10.7371 8.33853 11.6095 7.35934 9.47269 numMergedOcc 0
53 mol 240 unq 1 iso 0 dist 9.47583 13.9225 5.66537 11.6095 7.35934 7.29448 numMergedOcc 0
54 mol 240 unq 2 iso 0 dist 8.44909 7.75407 8.33853 11.9494 7.35934 9.47269 numMergedOcc 0
55 mol 240 unq 3 iso 0 dist 8.44909 12.076 5.66537 11.9494 7.35934 7.29448 numMergedOcc 0
56 mol 252 unq 0 iso 0 dist 6.11473 4.23801 6.57207 7.15243 6.5058 4.17197 numMergedOcc 0
57 mol 252 unq 1 iso 0 dist 8.47784 4.23801 5.2361 7.15243 6.77555 4.17197 numMergedOcc 0
58 mol 252 unq 2 iso 0 dist 8.47784 13.6996 5.57515 7.15243 6.77555 9.43565 numMergedOcc 0
59 mol 252 unq 3 iso 0 dist 8.47784 15.4395 8.28694 7.15243 6.77555 10.6687 numMergedOcc 0
60 mol 252 unq 4 iso 0 dist 8.66469 9.12442 5.2361 7.18984 6.77555 4.17197 numMergedOcc 0
61 mol 252 unq 5 iso 0 dist 8.66469 7.35945 5.57515 7.18984 6.77555 9.43565 numMergedOcc 0
62 mol 252 unq 6 iso 0 dist 8.66469 5.26003 8.28694 7.18984 6.77555 10.6687 numMergedOcc 0
63 mol 261 unq 0 iso 0 dist 5.26434 7.49174 9.24121 7.83541 7.75255 14.3809 numMergedOcc 0
64 mol 261 unq 1 iso 0 dist 5.26434 7.49174 9.24121 10.6727 8.96013 15.1504 numMergedOcc 0
65 mol 261 unq 2 iso 0 dist 8.60026 5.22253 9.24121 14.5304 7.75255 14.3809 numMergedOcc 0
66 mol 261 unq 3 iso 0 dist 8.60026 5.22253 9.24121 16.5975 8.96013 15.1504 numMergedOcc 0
67 mol 282 unq 0 iso 0 dist 5.23193 7.30164 9.96468 7.35437 7.44686 12.0022 numMergedOcc 0
68 mol 282 unq 1 iso 0 dist 5.23193 7.30164 9.96468 11.0422 9.82855 15.6856 numMergedOcc 0
69 mol 282 unq 2 iso 0 dist 5.23193 7.30164 9.96468 10.3109 8.62579 12.0509 numMergedOcc 0
70 mol 282 unq 3 iso 0 dist 5.23193 8.36249 9.59817 7.35437 7.44686 14.6345 numMergedOcc 0
71 mol 282 unq 4 iso 0 dist 5.23193 8.36249 9.59817 11.0422 9.82855 18.1015 numMergedOcc 0
72 mol 282 unq 5 iso 0 dist 5.23193 8.36249 9.59817 10.3109 8.62579 14.8528 numMergedOcc 0
