0 mol 7 unq 0 iso 0 dist 8.75465 8.00249 4.80709 15.0884 9.87885 14.1836 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.75465 8.00249 4.80709 6.3236 6.1206 7.67927 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.00249 8.75465 4.80709 6.3236 7.67927 6.1206 numMergedOcc 0
3 mol 21 unq 0 iso 0 dist 7.5136 8.09082 5.3862 6.5268 5.93898 9.84542 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.48944 9.04448 11.9756 14.0586 7.27472 17.003 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.48944 6.6834 13.4516 14.0586 7.27472 16.707 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 9.04448 8.48944 11.9756 9.67461 5.68215 9.33482 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 9.04448 6.6834 10.7501 9.67461 5.68215 10.9113 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 6.6834 8.48944 13.4516 13.4994 7.95042 17.9275 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 6.6834 9.04448 10.7501 13.4994 7.95042 12.5088 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 8.57607 7.84956 10.3056 4.16047 8.27883 11.5783 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 8.57607 7.84956 10.3056 8.68514 7.7152 14.2275 numMergedOcc 0
12 mol 95 unq 2 iso 0 dist 8.57607 6.1991 6.27231 4.16047 8.27883 5.75428 numMergedOcc 0
13 mol 95 unq 3 iso 0 dist 8.57607 6.1991 6.27231 8.68514 7.7152 10.0848 numMergedOcc 0
14 mol 95 unq 4 iso 0 dist 8.57607 5.96246 11.734 4.16047 8.27883 8.57395 numMergedOcc 0
15 mol 95 unq 5 iso 0 dist 8.57607 5.96246 11.734 8.68514 7.7152 14.2618 numMergedOcc 0
16 mol 95 unq 6 iso 0 dist 6.1991 7.84956 9.77913 4.16047 5.75428 11.5783 numMergedOcc 0
17 mol 95 unq 7 iso 0 dist 6.1991 8.57607 6.27231 4.16047 5.75428 8.27883 numMergedOcc 0
18 mol 95 unq 8 iso 0 dist 6.1991 5.96246 6.95874 4.16047 5.75428 8.57395 numMergedOcc 0
19 mol 95 unq 9 iso 0 dist 5.96246 7.84956 7.51315 4.16047 8.57395 11.5783 numMergedOcc 0
20 mol 95 unq 10 iso 0 dist 5.96246 8.57607 11.734 4.16047 8.57395 8.27883 numMergedOcc 0
21 mol 95 unq 11 iso 0 dist 5.96246 6.1991 6.95874 4.16047 8.57395 5.75428 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 5.91797 6.37954 6.70343 15.3018 9.64383 14.0897 numMergedOcc 0
23 mol 98 unq 1 iso 0 dist 5.91797 6.37954 6.70343 9.41666 7.54889 5.2571 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 5.91797 6.37954 6.70343 9.57791 7.78931 8.7497 numMergedOcc 0
25 mol 98 unq 3 iso 0 dist 6.37954 5.91797 6.70343 5.90686 5.10496 9.81956 numMergedOcc 0
26 mol 98 unq 4 iso 0 dist 6.37954 5.91797 6.70343 11.2946 5.92242 10.8223 numMergedOcc 0
27 mol 98 unq 5 iso 0 dist 6.37954 5.91797 6.70343 9.41666 5.2571 7.54889 numMergedOcc 0
28 mol 98 unq 6 iso 0 dist 6.37954 5.91797 6.70343 9.57791 8.7497 7.78931 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 7.76446 6.14652 5.83782 6.47007 6.42772 9.70973 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 7.76446 6.14652 5.83782 10.4858 9.1998 8.69531 numMergedOcc 0
31 mol 134 unq 2 iso 0 dist 7.76446 6.14652 5.83782 14.3375 8.70621 10.3432 numMergedOcc 0
32 mol 134 unq 3 iso 0 dist 6.14652 7.76446 5.83782 7.07625 9.33094 11.0808 numMergedOcc 0
33 mol 134 unq 4 iso 0 dist 6.14652 7.76446 5.83782 10.4858 8.69531 9.1998 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 9.4275 9.83462 3.55572 5.65129 6.59889 8.9192 numMergedOcc 0
35 mol 152 unq 1 iso 0 dist 9.4275 9.83462 3.55572 10.5295 6.70693 9.27706 numMergedOcc 0
36 mol 152 unq 2 iso 0 dist 9.83462 9.4275 3.55572 5.65129 8.9192 6.59889 numMergedOcc 0
37 mol 184 unq 0 iso 0 dist 8.33147 8.09403 5.33725 4.59843 8.97589 5.96423 numMergedOcc 0
38 mol 184 unq 1 iso 0 dist 8.09403 8.33147 5.33725 4.59843 5.96423 8.97589 numMergedOcc 0
39 mol 186 unq 0 iso 0 dist 6.04336 9.00537 7.15345 4.70216 9.3498 13.6831 numMergedOcc 0
40 mol 186 unq 1 iso 0 dist 6.04336 9.00537 7.15345 6.13422 7.05695 11.651 numMergedOcc 0
41 mol 186 unq 2 iso 0 dist 9.00537 6.04336 7.15345 11.4985 8.90571 14.0048 numMergedOcc 0
42 mol 186 unq 3 iso 0 dist 9.00537 6.04336 7.15345 9.40374 6.61112 10.8806 numMergedOcc 0
43 mol 188 unq 0 iso 0 dist 8.01604 9.07006 3.68927 10.0103 7.88013 9.90062 numMergedOcc 0
44 mol 188 unq 1 iso 0 dist 7.03264 6.32826 3.68927 7.94258 7.88013 9.90062 numMergedOcc 0
45 mol 188 unq 2 iso 0 dist 9.07006 8.01604 3.68927 10.0103 9.90062 7.88013 numMergedOcc 0
46 mol 188 unq 3 iso 0 dist 6.32826 7.03264 3.68927 7.94258 9.90062 7.88013 numMergedOcc 0
47 mol 205 unq 0 iso 0 dist 6.32553 9.71147 8.01847 9.40714 6.52816 13.5527 numMergedOcc 0
48 mol 207 unq 0 iso 0 dist 7.25953 9.05688 6.07936 5.6688 5.12567 6.0563 numMergedOcc 0
49 mol 207 unq 1 iso 0 dist 9.05688 7.25953 6.07936 10.6526 9.98372 10.4761 numMergedOcc 0
50 mol 207 unq 2 iso 0 dist 9.05688 7.25953 6.07936 5.6688 6.0563 5.12567 numMergedOcc 0
51 mol 213 unq 0 iso 0 dist 8.04327 8.38045 5.04116 7.18317 8.21793 9.29723 numMergedOcc 0
52 mol 217 unq 0 iso 0 dist 9.41353 8.28155 6.12994 5.33123 9.62437 9.70417 numMergedOcc 0
53 mol 222 unq 0 iso 0 dist 8.63804 8.61619 3.58181 4.81906 5.56538 7.48954 numMergedOcc 0
54 mol 222 unq 1 iso 0 dist 8.61619 8.63804 3.58181 4.81906 7.48954 5.56538 numMergedOcc 0
55 mol 229 unq 0 iso 0 dist 9.90415 6.92268 9.01727 6.52416 7.27993 10.3243 numMergedOcc 0
56 mol 229 unq 1 iso 0 dist 9.90415 6.92268 9.01727 9.71486 9.51168 14.4522 numMergedOcc 0
57 mol 229 unq 2 iso 0 dist 9.90415 6.92268 9.01727 12.9522 6.95201 14.8281 numMergedOcc 0
58 mol 243 unq 0 iso 0 dist 8.96099 9.30388 6.27924 5.13362 7.10671 10.5519 numMergedOcc 0
59 mol 243 unq 1 iso 0 dist 6.56525 5.78671 6.68192 5.8297 7.10671 10.5333 numMergedOcc 0
60 mol 243 unq 2 iso 0 dist 6.56525 5.46817 6.67199 5.8297 7.10671 8.67156 numMergedOcc 0
61 mol 243 unq 3 iso 0 dist 5.46817 5.78671 4.09189 5.8297 8.67156 10.5333 numMergedOcc 0
62 mol 243 unq 4 iso 0 dist 5.46817 6.56525 6.67199 5.8297 8.67156 7.10671 numMergedOcc 0
63 mol 274 unq 0 iso 0 dist 9.61255 7.64703 13.5848 7.62102 9.30212 6.4611 numMergedOcc 0
64 mol 274 unq 1 iso 0 dist 7.64703 9.61255 13.5848 7.62102 6.4611 9.30212 numMergedOcc 0
65 mol 277 unq 0 iso 0 dist 7.88009 5.80061 3.39114 13.3794 9.57499 11.4389 numMergedOcc 0
66 mol 277 unq 1 iso 0 dist 7.88009 5.80061 3.39114 5.90394 5.46926 5.13913 numMergedOcc 0
67 mol 277 unq 2 iso 0 dist 7.88009 5.80061 3.39114 9.57081 8.9682 6.92711 numMergedOcc 0
68 mol 277 unq 3 iso 0 dist 5.80061 7.88009 3.39114 5.90394 5.13913 5.46926 numMergedOcc 0
69 mol 277 unq 4 iso 0 dist 5.80061 7.88009 3.39114 9.57081 6.92711 8.9682 numMergedOcc 0
70 mol 279 unq 0 iso 0 dist 7.26637 9.88022 12.3271 6.07975 7.24366 14.8033 numMergedOcc 0
71 mol 279 unq 1 iso 0 dist 7.26637 9.88198 13.095 6.07975 7.24366 10.2562 numMergedOcc 0
72 mol 279 unq 2 iso 0 dist 9.88198 9.88022 19.0111 10.7368 6.35028 18.98 numMergedOcc 0
73 mol 279 unq 3 iso 0 dist 9.88198 7.26637 13.095 10.7368 6.35028 16.5279 numMergedOcc 0
