0 mol 17 unq 0 iso 0 dist 6.25587 10.1274 9.78331 4.67638 7.25951 5.67637 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.25587 10.1274 9.78331 10.6511 7.92012 4.03817 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.28637 15.544 7.51452 13.5841 5.86181 10.0815 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 9.28637 15.544 7.51452 4.14121 6.3253 13.457 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 9.28637 15.544 7.51452 11.667 5.80568 11.3821 numMergedOcc 0
5 mol 20 unq 3 iso 0 dist 9.28637 9.10773 9.20198 13.5841 5.86181 8.96335 numMergedOcc 0
6 mol 20 unq 4 iso 0 dist 9.28637 9.10773 9.20198 4.14121 6.3253 6.05944 numMergedOcc 0
7 mol 20 unq 5 iso 0 dist 9.28637 9.10773 9.20198 11.667 5.80568 7.46656 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 8.84763 5.21858 6.46104 9.17361 6.93197 7.23703 numMergedOcc 0
9 mol 26 unq 1 iso 0 dist 8.84763 6.29941 7.36856 9.17361 6.93197 5.81765 numMergedOcc 0
10 mol 32 unq 0 iso 0 dist 7.98862 4.55576 7.99969 7.99155 8.5315 10.8897 numMergedOcc 0
11 mol 32 unq 1 iso 0 dist 5.78878 7.58171 7.99969 5.49317 8.5315 10.8897 numMergedOcc 0
12 mol 32 unq 2 iso 0 dist 7.98414 10.2135 7.99969 10.6064 8.5315 10.8897 numMergedOcc 0
13 mol 65 unq 0 iso 0 dist 8.70783 10.8737 6.72639 5.43428 5.94206 5.51708 numMergedOcc 0
14 mol 65 unq 1 iso 0 dist 8.70783 9.96191 6.76508 5.43428 5.94206 6.47381 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 5.38064 10.3471 7.80975 10.5343 9.5057 5.42531 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 5.38064 10.3471 7.80975 5.88248 5.75014 4.86592 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 5.38064 7.25847 7.10378 10.5343 9.5057 8.4128 numMergedOcc 0
18 mol 100 unq 3 iso 0 dist 5.38064 7.25847 7.10378 5.88248 5.75014 7.96533 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 5.7085 11.4228 8.8822 5.03181 6.6317 7.27193 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 9.04937 7.79117 8.99399 4.91693 7.20249 7.45148 numMergedOcc 0
21 mol 162 unq 0 iso 0 dist 9.06613 6.66205 6.45896 4.58889 9.7361 4.38317 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 8.53734 11.071 9.61462 13.6177 5.25109 11.5561 numMergedOcc 0
23 mol 171 unq 1 iso 0 dist 8.53734 11.071 9.61462 16.0184 8.21618 10.844 numMergedOcc 0
24 mol 171 unq 2 iso 0 dist 6.08141 10.3893 9.61462 9.13275 5.25109 11.5561 numMergedOcc 0
25 mol 171 unq 3 iso 0 dist 6.08141 10.3893 9.61462 11.3808 8.21618 10.844 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 9.89987 7.89844 6.2479 5.16569 7.32087 4.43096 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 9.89987 7.89844 6.2479 14.8476 8.86197 8.04639 numMergedOcc 0
28 mol 181 unq 2 iso 0 dist 9.89987 5.10258 6.22122 5.16569 7.32087 6.06566 numMergedOcc 0
29 mol 181 unq 3 iso 0 dist 9.89987 5.10258 6.22122 14.8476 8.86197 13.0409 numMergedOcc 0
30 mol 181 unq 4 iso 0 dist 9.89987 16.1714 7.99195 5.16569 7.32087 12.2164 numMergedOcc 0
31 mol 181 unq 5 iso 0 dist 9.89987 16.1714 7.99195 14.8476 8.86197 5.77299 numMergedOcc 0
32 mol 181 unq 6 iso 0 dist 9.91457 11.9245 5.94469 4.92197 9.92471 9.69409 numMergedOcc 0
33 mol 192 unq 0 iso 0 dist 9.71614 9.58683 8.77999 9.80925 6.60053 12.717 numMergedOcc 0
34 mol 192 unq 1 iso 0 dist 9.71614 9.58683 8.77999 13.4246 9.36796 14.8459 numMergedOcc 0
35 mol 192 unq 2 iso 0 dist 8.81185 10.9985 8.77999 5.47621 6.60053 12.717 numMergedOcc 0
36 mol 192 unq 3 iso 0 dist 8.81185 10.9985 8.77999 8.27422 9.36796 14.8459 numMergedOcc 0
37 mol 194 unq 0 iso 0 dist 7.27978 5.69334 8.65535 11.9617 6.1886 11.6598 numMergedOcc 0
38 mol 196 unq 0 iso 0 dist 4.83135 6.85258 6.70531 4.45798 7.21349 4.54749 numMergedOcc 0
39 mol 196 unq 1 iso 0 dist 4.83135 9.99132 6.86319 4.45798 7.21349 10.645 numMergedOcc 0
40 mol 232 unq 0 iso 0 dist 8.70651 9.88635 8.50102 14.8728 9.78181 6.2188 numMergedOcc 0
41 mol 232 unq 1 iso 0 dist 8.70651 9.88635 8.50102 4.03628 9.8664 12.3508 numMergedOcc 0
42 mol 232 unq 2 iso 0 dist 8.70651 5.08111 9.40808 14.8728 9.78181 12.5452 numMergedOcc 0
43 mol 232 unq 3 iso 0 dist 8.70651 5.08111 9.40808 4.03628 9.8664 8.80479 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 6.38654 6.89249 8.94014 3.99122 5.92374 5.50308 numMergedOcc 0
45 mol 238 unq 1 iso 0 dist 6.38654 9.42382 7.02333 3.99122 5.92374 7.11984 numMergedOcc 0
46 mol 238 unq 2 iso 0 dist 6.38654 11.5722 8.67864 3.99122 5.92374 7.95232 numMergedOcc 0
47 mol 238 unq 3 iso 0 dist 9.77185 9.71057 8.94014 11.3383 5.92374 5.50308 numMergedOcc 0
48 mol 238 unq 4 iso 0 dist 9.77185 4.39154 7.02333 11.3383 5.92374 7.11984 numMergedOcc 0
49 mol 238 unq 5 iso 0 dist 9.77185 6.77956 8.67864 11.3383 5.92374 7.95232 numMergedOcc 0
50 mol 265 unq 0 iso 0 dist 6.99454 5.26386 6.71375 8.9809 8.984 10.0732 numMergedOcc 0
51 mol 271 unq 0 iso 0 dist 8.97962 10.8708 8.98576 5.88597 5.92274 5.53238 numMergedOcc 0
52 mol 271 unq 1 iso 0 dist 8.97962 12.9071 8.92636 5.88597 5.92274 9.1619 numMergedOcc 0
