0 mol 26 unq 0 iso 0 dist 8.8533 4.18634 6.73167 13.421 7.40948 10.1642 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 8.8533 13.421 7.40948 4.18634 6.73167 10.1642 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.87744 12.7209 6.73167 9.09086 7.40948 10.1642 numMergedOcc 0
3 mol 26 unq 1 iso 1 dist 6.87744 9.09086 7.40948 12.7209 6.73167 10.1642 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 7.76679 4.95591 8.48088 9.62836 7.27506 6.12906 numMergedOcc 0
5 mol 95 unq 0 iso 1 dist 7.76679 9.62836 7.27506 4.95591 8.48088 6.12906 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 5.9819 10.5025 5.43933 9.50897 4.99604 6.86881 numMergedOcc 0
7 mol 112 unq 0 iso 1 dist 5.9819 9.50897 4.99604 10.5025 5.43933 6.86881 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 5.9819 10.5025 5.43933 13.6247 9.97483 5.20124 numMergedOcc 0
9 mol 112 unq 1 iso 1 dist 5.9819 13.6247 9.97483 10.5025 5.43933 5.20124 numMergedOcc 0
10 mol 112 unq 2 iso 0 dist 5.9819 10.5025 5.43933 4.9759 7.44041 9.41803 numMergedOcc 0
11 mol 112 unq 2 iso 1 dist 5.9819 4.9759 7.44041 10.5025 5.43933 9.41803 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 5.9819 9.50897 4.99604 13.6247 9.97483 10.8861 numMergedOcc 0
13 mol 112 unq 1 iso 1 dist 5.9819 13.6247 9.97483 9.50897 4.99604 10.8861 numMergedOcc 0
14 mol 112 unq 2 iso 0 dist 5.9819 9.50897 4.99604 4.9759 7.44041 10.5905 numMergedOcc 0
15 mol 112 unq 2 iso 1 dist 5.9819 4.9759 7.44041 9.50897 4.99604 10.5905 numMergedOcc 0
16 mol 112 unq 2 iso 0 dist 5.9819 13.6247 9.97483 4.9759 7.44041 10.596 numMergedOcc 0
17 mol 112 unq 2 iso 1 dist 5.9819 4.9759 7.44041 13.6247 9.97483 10.596 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 5.8367 4.4987 8.48313 4.72407 6.99345 6.05407 numMergedOcc 0
19 mol 134 unq 0 iso 1 dist 5.8367 4.72407 6.99345 4.4987 8.48313 6.05407 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 5.8367 4.4987 8.48313 7.97297 5.11043 10.5379 numMergedOcc 0
21 mol 134 unq 1 iso 1 dist 5.8367 7.97297 5.11043 4.4987 8.48313 10.5379 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 5.8367 4.72407 6.99345 7.97297 5.11043 5.83782 numMergedOcc 0
23 mol 134 unq 1 iso 1 dist 5.8367 7.97297 5.11043 4.72407 6.99345 5.83782 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 8.22643 9.54898 6.34234 11.5968 7.87972 10.558 numMergedOcc 0
25 mol 195 unq 0 iso 1 dist 8.22643 11.5968 7.87972 9.54898 6.34234 10.558 numMergedOcc 0
26 mol 198 unq 0 iso 0 dist 5.33789 10.2325 8.8864 8.89394 8.12201 5.85034 numMergedOcc 0
27 mol 198 unq 0 iso 1 dist 5.33789 8.89394 8.12201 10.2325 8.8864 5.85034 numMergedOcc 0
28 mol 198 unq 1 iso 0 dist 5.33789 10.2325 8.8864 4.91277 5.45162 5.38093 numMergedOcc 0
29 mol 198 unq 1 iso 1 dist 5.33789 4.91277 5.45162 10.2325 8.8864 5.38093 numMergedOcc 0
30 mol 198 unq 1 iso 0 dist 5.33789 8.89394 8.12201 4.91277 5.45162 6.06126 numMergedOcc 0
31 mol 198 unq 1 iso 1 dist 5.33789 4.91277 5.45162 8.89394 8.12201 6.06126 numMergedOcc 0
32 mol 198 unq 2 iso 0 dist 7.27215 9.78748 8.8864 12.0849 8.12201 5.85034 numMergedOcc 0
33 mol 198 unq 2 iso 1 dist 7.27215 12.0849 8.12201 9.78748 8.8864 5.85034 numMergedOcc 0
34 mol 198 unq 3 iso 0 dist 7.27215 9.78748 8.8864 6.12389 5.45162 5.38093 numMergedOcc 0
35 mol 198 unq 3 iso 1 dist 7.27215 6.12389 5.45162 9.78748 8.8864 5.38093 numMergedOcc 0
36 mol 198 unq 3 iso 0 dist 7.27215 12.0849 8.12201 6.12389 5.45162 6.06126 numMergedOcc 0
37 mol 198 unq 3 iso 1 dist 7.27215 6.12389 5.45162 12.0849 8.12201 6.06126 numMergedOcc 0
38 mol 225 unq 0 iso 0 dist 6.06105 5.30128 9.57955 7.291 8.79277 8.05944 numMergedOcc 0
39 mol 225 unq 0 iso 1 dist 6.06105 7.291 8.79277 5.30128 9.57955 8.05944 numMergedOcc 0
40 mol 229 unq 0 iso 0 dist 7.09453 5.06475 6.42694 10.6529 7.63917 6.12355 numMergedOcc 0
41 mol 229 unq 0 iso 1 dist 7.09453 10.6529 7.63917 5.06475 6.42694 6.12355 numMergedOcc 0
42 mol 229 unq 1 iso 0 dist 8.69109 5.21449 6.42694 9.57165 7.63917 6.12355 numMergedOcc 0
43 mol 229 unq 1 iso 1 dist 8.69109 9.57165 7.63917 5.21449 6.42694 6.12355 numMergedOcc 0
44 mol 250 unq 0 iso 0 dist 9.26007 9.01873 7.22664 3.96634 7.15762 6.74332 numMergedOcc 0
45 mol 250 unq 0 iso 1 dist 9.26007 3.96634 7.15762 9.01873 7.22664 6.74332 numMergedOcc 0
46 mol 252 unq 0 iso 0 dist 8.62351 7.51673 8.19529 9.93939 6.45396 5.1765 numMergedOcc 0
47 mol 252 unq 0 iso 1 dist 8.62351 9.93939 6.45396 7.51673 8.19529 5.1765 numMergedOcc 0
48 mol 252 unq 1 iso 0 dist 6.94319 10.1704 8.19529 7.35069 6.45396 5.1765 numMergedOcc 0
49 mol 252 unq 1 iso 1 dist 6.94319 7.35069 6.45396 10.1704 8.19529 5.1765 numMergedOcc 0
50 mol 260 unq 0 iso 0 dist 8.2776 9.31424 9.65775 10.8164 9.50634 17.1683 numMergedOcc 0
51 mol 260 unq 0 iso 1 dist 8.2776 10.8164 9.50634 9.31424 9.65775 17.1683 numMergedOcc 0
52 mol 264 unq 0 iso 0 dist 9.91954 10.6477 6.02757 10.998 8.67231 5.23295 numMergedOcc 0
53 mol 264 unq 0 iso 1 dist 9.91954 10.998 8.67231 10.6477 6.02757 5.23295 numMergedOcc 0
54 mol 270 unq 0 iso 0 dist 8.2483 9.76047 7.39185 5.26516 8.20158 6.67404 numMergedOcc 0
55 mol 270 unq 0 iso 1 dist 8.2483 5.26516 8.20158 9.76047 7.39185 6.67404 numMergedOcc 0
56 mol 278 unq 0 iso 0 dist 9.03362 12.0738 8.63072 14.2932 7.59696 5.75667 numMergedOcc 0
57 mol 278 unq 0 iso 1 dist 9.03362 14.2932 7.59696 12.0738 8.63072 5.75667 numMergedOcc 0
58 mol 284 unq 0 iso 0 dist 8.79958 16.3287 9.07503 15.4224 7.63256 4.7381 numMergedOcc 0
59 mol 284 unq 0 iso 1 dist 8.79958 15.4224 7.63256 16.3287 9.07503 4.7381 numMergedOcc 0
