0 mol 24 unq 0 iso 0 dist 6.80849 14.0145 9.90845 13.9888 8.86116 9.59761 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.80849 14.0145 9.90845 10.1696 8.38394 9.89489 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.47617 17.2393 9.74445 15.1595 8.80331 10.323 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.47617 17.2393 9.74445 8.14351 6.20293 14.445 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.13476 12.423 6.59893 13.1047 9.5589 11.9881 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 6.13476 12.423 6.59893 10.0565 6.83299 10.3564 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 6.13476 12.423 6.59893 5.77448 8.10861 12.4254 numMergedOcc 0
7 mol 54 unq 3 iso 0 dist 6.13476 9.45804 5.59773 13.1047 9.5589 13.9079 numMergedOcc 0
8 mol 54 unq 4 iso 0 dist 6.13476 9.45804 5.59773 10.0565 6.83299 10.4238 numMergedOcc 0
9 mol 54 unq 5 iso 0 dist 6.13476 9.45804 5.59773 5.77448 8.10861 10.1356 numMergedOcc 0
10 mol 60 unq 0 iso 0 dist 8.46609 4.46881 5.83937 4.72836 6.65595 6.62193 numMergedOcc 0
11 mol 60 unq 1 iso 0 dist 8.46609 4.46881 5.83937 9.1013 9.25011 10.9885 numMergedOcc 0
12 mol 60 unq 2 iso 0 dist 8.46609 4.46881 5.83937 12.4802 6.43294 9.96073 numMergedOcc 0
13 mol 60 unq 3 iso 0 dist 8.46609 4.46881 5.83937 11.7276 8.52121 11.2445 numMergedOcc 0
14 mol 60 unq 4 iso 0 dist 8.46609 9.54901 8.82095 4.72836 6.65595 5.63638 numMergedOcc 0
15 mol 60 unq 5 iso 0 dist 8.46609 9.54901 8.82095 9.1013 9.25011 5.95814 numMergedOcc 0
16 mol 60 unq 6 iso 0 dist 8.46609 9.54901 8.82095 12.4802 6.43294 13.6099 numMergedOcc 0
17 mol 60 unq 7 iso 0 dist 8.46609 9.54901 8.82095 11.7276 8.52121 12.0142 numMergedOcc 0
18 mol 90 unq 0 iso 0 dist 6.31203 8.63221 7.49054 4.53359 5.83409 5.49044 numMergedOcc 0
19 mol 95 unq 0 iso 0 dist 8.55238 12.2934 8.54906 7.30086 7.88289 6.6292 numMergedOcc 0
20 mol 95 unq 1 iso 0 dist 8.55238 12.2934 8.54906 10.7376 9.01083 12.3193 numMergedOcc 0
21 mol 95 unq 2 iso 0 dist 9.85406 9.32064 8.54906 10.2242 7.88289 6.6292 numMergedOcc 0
22 mol 95 unq 3 iso 0 dist 9.85406 9.32064 8.54906 16.7843 9.01083 12.3193 numMergedOcc 0
23 mol 95 unq 4 iso 0 dist 5.76199 4.32102 8.54906 5.58096 7.88289 6.6292 numMergedOcc 0
24 mol 95 unq 5 iso 0 dist 5.76199 4.32102 8.54906 11.5715 9.01083 12.3193 numMergedOcc 0
25 mol 122 unq 0 iso 0 dist 8.054 5.27855 8.33083 9.57532 8.37808 12.4383 numMergedOcc 0
26 mol 130 unq 0 iso 0 dist 7.94863 4.59384 7.83619 7.58865 9.28393 10.0837 numMergedOcc 0
27 mol 130 unq 1 iso 0 dist 7.94863 12.3068 9.91643 7.58865 9.28393 7.40242 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 9.05674 5.48547 8.84018 4.32516 6.5107 8.00493 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 6.53153 6.6767 9.48243 5.78974 9.91388 11.6637 numMergedOcc 0
30 mol 152 unq 0 iso 0 dist 9.0847 17.3026 9.10619 14.8573 8.56324 9.66339 numMergedOcc 0
31 mol 152 unq 1 iso 0 dist 9.0847 17.3026 9.10619 8.41711 6.70283 13.9994 numMergedOcc 0
32 mol 152 unq 2 iso 0 dist 9.0847 17.3026 9.10619 4.82496 7.16148 14.2552 numMergedOcc 0
33 mol 152 unq 3 iso 0 dist 6.00061 4.14546 9.74498 8.41711 8.67331 10.7816 numMergedOcc 0
34 mol 152 unq 4 iso 0 dist 6.00061 4.14546 9.74498 4.82496 8.05741 7.26476 numMergedOcc 0
35 mol 178 unq 0 iso 0 dist 7.14849 7.17894 8.0974 6.96904 6.69288 12.2822 numMergedOcc 0
36 mol 178 unq 1 iso 0 dist 7.14849 7.17894 8.0974 7.57303 6.43573 12.4338 numMergedOcc 0
37 mol 178 unq 2 iso 0 dist 7.14849 7.17894 8.0974 14.0459 7.17202 13.9722 numMergedOcc 0
38 mol 178 unq 3 iso 0 dist 7.14849 7.17894 8.0974 14.3001 8.81551 13.5599 numMergedOcc 0
39 mol 178 unq 4 iso 0 dist 8.63718 15.0874 8.0974 11.5509 6.69288 12.2822 numMergedOcc 0
40 mol 178 unq 5 iso 0 dist 8.63718 15.0874 8.0974 7.31401 6.43573 12.4338 numMergedOcc 0
41 mol 178 unq 6 iso 0 dist 8.63718 15.0874 8.0974 5.91018 7.17202 13.9722 numMergedOcc 0
42 mol 178 unq 7 iso 0 dist 8.63718 15.0874 8.0974 4.92895 8.81551 13.5599 numMergedOcc 0
43 mol 197 unq 0 iso 0 dist 9.14737 15.3424 8.64255 9.23779 8.56633 11.8861 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 9.61379 13.0098 6.56437 9.57016 8.95269 14.2632 numMergedOcc 0
45 mol 224 unq 1 iso 0 dist 9.61379 12.6599 6.23882 9.57016 8.95269 15.0038 numMergedOcc 0
46 mol 224 unq 2 iso 0 dist 9.61379 5.1945 9.53131 9.57016 8.95269 9.59595 numMergedOcc 0
47 mol 224 unq 3 iso 0 dist 9.61379 4.72179 9.34636 9.57016 8.95269 5.63485 numMergedOcc 0
48 mol 224 unq 4 iso 0 dist 8.47457 5.57 7.39839 5.15333 6.65832 7.65225 numMergedOcc 0
49 mol 224 unq 5 iso 0 dist 8.47457 5.57 7.39839 8.1404 6.60589 4.91322 numMergedOcc 0
50 mol 224 unq 6 iso 0 dist 8.47457 5.57 7.39839 15.1783 9.16166 12.979 numMergedOcc 0
51 mol 234 unq 0 iso 0 dist 7.17032 3.90122 5.89084 5.44278 6.56247 4.74041 numMergedOcc 0
52 mol 234 unq 1 iso 0 dist 7.17032 3.90122 5.89084 9.25445 9.45496 6.16697 numMergedOcc 0
53 mol 238 unq 0 iso 0 dist 8.39522 11.1968 9.75174 4.88998 6.57393 13.477 numMergedOcc 0
54 mol 248 unq 0 iso 0 dist 9.5107 10.5215 8.71859 11.8955 7.69895 4.53213 numMergedOcc 0
55 mol 248 unq 1 iso 0 dist 9.5107 10.5215 8.71859 6.97887 7.21521 6.33032 numMergedOcc 0
56 mol 248 unq 2 iso 0 dist 9.5107 10.5215 8.71859 5.78576 8.2965 11.762 numMergedOcc 0
57 mol 253 unq 0 iso 0 dist 9.86979 11.834 7.7993 7.79167 9.02271 13.0587 numMergedOcc 0
58 mol 253 unq 1 iso 0 dist 9.86979 6.26583 6.10761 7.79167 9.02271 4.70422 numMergedOcc 0
59 mol 259 unq 0 iso 0 dist 5.29682 4.98212 6.77279 5.48552 8.53687 7.55268 numMergedOcc 0
60 mol 259 unq 1 iso 0 dist 5.29682 4.98212 6.77279 5.56656 8.13497 5.71237 numMergedOcc 0
61 mol 259 unq 2 iso 0 dist 6.20344 4.98212 9.58006 5.56656 7.88519 5.71237 numMergedOcc 0
62 mol 259 unq 3 iso 0 dist 6.20344 4.98212 9.58006 6.08432 7.84554 9.10984 numMergedOcc 0
63 mol 259 unq 4 iso 0 dist 6.20344 4.98212 9.58006 10.3156 7.46176 11.8501 numMergedOcc 0
64 mol 259 unq 5 iso 0 dist 6.20344 4.98212 9.58006 9.55719 9.18903 13.9868 numMergedOcc 0
65 mol 277 unq 0 iso 0 dist 9.64889 6.7593 6.90434 15.4648 9.7748 13.2927 numMergedOcc 0
66 mol 279 unq 0 iso 0 dist 7.63115 7.675 8.13489 5.82892 9.70696 5.51096 numMergedOcc 0
