0 mol 7 unq 0 iso 0 dist 6.1206 7.67927 4.80709 5.44992 8.15894 11.7902 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.1206 7.67927 4.80709 4.74523 8.45544 10.3845 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 5.8245 8.55451 3.58336 3.98483 7.05919 9.64824 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 7.27472 8.87744 3.73215 10.0655 7.96195 11.3572 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 6.24711 7.18022 3.39994 14.0576 9.58596 11.6541 numMergedOcc 0
5 mol 89 unq 0 iso 0 dist 7.47974 6.53308 7.04263 6.52312 6.65534 10.1877 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 9.3948 9.74607 8.00584 14.484 7.27506 14.9005 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.92242 7.02507 9.6331 13.4985 8.75597 13.4099 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.92242 7.02507 9.6331 7.89505 9.18457 13.8389 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 7.54889 5.2571 6.70343 13.9572 6.83746 11.6715 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 7.54889 5.2571 6.70343 13.1975 9.14707 9.18457 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 5.2571 7.54889 6.70343 6.934 8.75597 12.2279 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 5.2571 7.54889 6.70343 13.1975 9.18457 9.14707 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 7.78931 8.7497 6.70343 14.5341 6.83746 11.6715 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 7.78931 8.7497 6.70343 15.9953 9.14707 9.18457 numMergedOcc 0
15 mol 98 unq 8 iso 0 dist 8.7497 7.78931 6.70343 7.17433 8.75597 12.2279 numMergedOcc 0
16 mol 98 unq 9 iso 0 dist 8.7497 7.78931 6.70343 15.9953 9.18457 9.14707 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 9.02706 9.39168 6.38762 10.1567 4.99604 10.2181 numMergedOcc 0
18 mol 112 unq 1 iso 0 dist 8.47988 8.0427 6.38762 8.56707 4.99604 10.2181 numMergedOcc 0
19 mol 112 unq 2 iso 0 dist 9.05166 5.56994 5.11 12.6695 7.44041 10.2176 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 6.42772 9.10524 7.62195 11.7434 6.99345 12.1815 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 9.1998 8.69531 5.83782 5.12325 6.99345 5.11043 numMergedOcc 0
22 mol 134 unq 2 iso 0 dist 8.69531 9.1998 5.83782 5.12325 5.11043 6.99345 numMergedOcc 0
23 mol 134 unq 3 iso 0 dist 5.35237 8.70621 6.05407 6.02179 8.48313 6.99345 numMergedOcc 0
24 mol 134 unq 4 iso 0 dist 8.70621 5.35237 6.05407 6.02179 6.99345 8.48313 numMergedOcc 0
25 mol 134 unq 5 iso 0 dist 7.99477 9.00918 4.87973 10.9332 8.48313 12.1815 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 5.40637 7.36975 10.1474 10.8441 8.68663 13.5717 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 6.59889 8.9192 3.55572 7.2238 7.1069 10.6459 numMergedOcc 0
28 mol 184 unq 0 iso 0 dist 6.73504 9.90822 9.88527 5.16512 7.32888 13.1226 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 7.2793 9.51091 3.47886 6.87725 8.31881 11.7345 numMergedOcc 0
30 mol 186 unq 1 iso 0 dist 7.2793 7.85184 12.5618 6.87725 8.31881 12.1449 numMergedOcc 0
31 mol 188 unq 0 iso 0 dist 7.88013 9.90062 3.68927 5.48276 7.79115 11.1486 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 6.74196 8.36842 8.10209 6.42798 7.97027 4.9876 numMergedOcc 0
33 mol 222 unq 1 iso 0 dist 6.74196 9.75472 9.49218 6.42798 7.97027 8.23353 numMergedOcc 0
34 mol 222 unq 2 iso 0 dist 8.36842 6.74196 8.10209 6.42798 4.9876 7.97027 numMergedOcc 0
35 mol 222 unq 3 iso 0 dist 8.36842 9.75472 3.53707 6.42798 4.9876 8.23353 numMergedOcc 0
36 mol 225 unq 0 iso 0 dist 6.50998 9.09424 8.05944 10.6484 9.57955 8.79277 numMergedOcc 0
37 mol 225 unq 1 iso 0 dist 6.50998 9.09424 8.05944 4.76151 9.87668 8.42121 numMergedOcc 0
38 mol 225 unq 2 iso 0 dist 6.50998 8.14831 13.7858 10.6484 9.57955 13.1568 numMergedOcc 0
39 mol 225 unq 3 iso 0 dist 6.50998 8.14831 13.7858 4.76151 9.87668 4.98402 numMergedOcc 0
40 mol 225 unq 4 iso 0 dist 9.09424 6.50998 8.05944 10.6484 8.79277 9.57955 numMergedOcc 0
41 mol 225 unq 5 iso 0 dist 9.09424 6.50998 8.05944 4.76151 8.42121 9.87668 numMergedOcc 0
42 mol 225 unq 6 iso 0 dist 9.09424 8.14831 11.2712 10.6484 8.79277 13.1568 numMergedOcc 0
43 mol 225 unq 7 iso 0 dist 9.09424 8.14831 11.2712 4.76151 8.42121 4.98402 numMergedOcc 0
44 mol 225 unq 8 iso 0 dist 8.14831 6.50998 13.7858 6.18042 8.69811 11.0611 numMergedOcc 0
45 mol 225 unq 9 iso 0 dist 8.14831 6.50998 13.7858 4.76151 4.98402 9.87668 numMergedOcc 0
46 mol 225 unq 10 iso 0 dist 8.14831 9.09424 11.2712 6.18042 8.69811 13.6359 numMergedOcc 0
47 mol 225 unq 11 iso 0 dist 8.14831 9.09424 11.2712 4.76151 4.98402 8.42121 numMergedOcc 0
48 mol 235 unq 0 iso 0 dist 8.19317 6.29377 4.8835 11.5211 9.11454 11.9508 numMergedOcc 0
49 mol 235 unq 1 iso 0 dist 5.1823 5.70635 4.8835 6.65703 9.11454 11.9508 numMergedOcc 0
50 mol 292 unq 0 iso 0 dist 9.46442 7.30758 3.57128 9.84292 9.2558 9.84946 numMergedOcc 0
51 mol 292 unq 1 iso 0 dist 9.46442 9.5785 11.3907 9.84292 9.2558 17.3369 numMergedOcc 0
52 mol 292 unq 2 iso 0 dist 9.46442 9.76319 13.609 9.84292 9.2558 16.4043 numMergedOcc 0
53 mol 292 unq 3 iso 0 dist 9.9182 8.9221 9.43063 16.2289 9.84946 16.1011 numMergedOcc 0
54 mol 292 unq 4 iso 0 dist 7.30758 9.46442 3.57128 9.84292 9.84946 9.2558 numMergedOcc 0
55 mol 292 unq 5 iso 0 dist 7.30758 9.5785 10.0941 9.84292 9.84946 17.3369 numMergedOcc 0
56 mol 292 unq 6 iso 0 dist 7.30758 9.76319 13.2166 9.84292 9.84946 16.4043 numMergedOcc 0
57 mol 292 unq 7 iso 0 dist 9.10788 8.85064 9.43063 8.96137 9.84946 16.1011 numMergedOcc 0
