0 mol 11 unq 0 iso 0 dist 7.05626 10.0977 7.98326 6.5069 7.90478 8.05578 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 7.05626 6.5069 7.90478 10.0977 7.98326 8.05578 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 9.1301 4.38034 5.76024 6.06519 7.92714 5.25297 numMergedOcc 0
3 mol 12 unq 0 iso 1 dist 9.1301 6.06519 7.92714 4.38034 5.76024 5.25297 numMergedOcc 0
4 mol 12 unq 1 iso 0 dist 9.1301 4.38034 5.76024 9.69467 8.47217 6.82858 numMergedOcc 0
5 mol 12 unq 1 iso 1 dist 9.1301 9.69467 8.47217 4.38034 5.76024 6.82858 numMergedOcc 0
6 mol 12 unq 1 iso 0 dist 9.1301 6.06519 7.92714 9.69467 8.47217 11.9461 numMergedOcc 0
7 mol 12 unq 1 iso 1 dist 9.1301 9.69467 8.47217 6.06519 7.92714 11.9461 numMergedOcc 0
8 mol 20 unq 0 iso 0 dist 5.87364 4.14436 4.74809 9.3714 5.86181 6.05053 numMergedOcc 0
9 mol 20 unq 0 iso 1 dist 5.87364 9.3714 5.86181 4.14436 4.74809 6.05053 numMergedOcc 0
10 mol 20 unq 1 iso 0 dist 6.87419 4.539 4.74809 13.6444 7.43882 9.9801 numMergedOcc 0
11 mol 20 unq 1 iso 1 dist 6.87419 13.6444 7.43882 4.539 4.74809 9.9801 numMergedOcc 0
12 mol 20 unq 2 iso 0 dist 6.87419 4.539 4.74809 9.41046 7.31198 5.64041 numMergedOcc 0
13 mol 20 unq 2 iso 1 dist 6.87419 9.41046 7.31198 4.539 4.74809 5.64041 numMergedOcc 0
14 mol 20 unq 2 iso 0 dist 6.87419 13.6444 7.43882 9.41046 7.31198 7.57412 numMergedOcc 0
15 mol 20 unq 2 iso 1 dist 6.87419 9.41046 7.31198 13.6444 7.43882 7.57412 numMergedOcc 0
16 mol 24 unq 0 iso 0 dist 8.12171 7.1011 8.00171 11.6096 5.95834 10.3279 numMergedOcc 0
17 mol 24 unq 0 iso 1 dist 8.12171 11.6096 5.95834 7.1011 8.00171 10.3279 numMergedOcc 0
18 mol 24 unq 1 iso 0 dist 8.12171 7.1011 8.00171 10.8208 4.2121 7.88693 numMergedOcc 0
19 mol 24 unq 1 iso 1 dist 8.12171 10.8208 4.2121 7.1011 8.00171 7.88693 numMergedOcc 0
20 mol 24 unq 2 iso 0 dist 8.12171 7.1011 8.00171 13.3998 6.72323 10.2653 numMergedOcc 0
21 mol 24 unq 2 iso 1 dist 8.12171 13.3998 6.72323 7.1011 8.00171 10.2653 numMergedOcc 0
22 mol 24 unq 1 iso 0 dist 8.12171 11.6096 5.95834 10.8208 4.2121 4.15946 numMergedOcc 0
23 mol 24 unq 1 iso 1 dist 8.12171 10.8208 4.2121 11.6096 5.95834 4.15946 numMergedOcc 0
24 mol 24 unq 2 iso 0 dist 8.12171 11.6096 5.95834 13.3998 6.72323 9.92026 numMergedOcc 0
25 mol 24 unq 2 iso 1 dist 8.12171 13.3998 6.72323 11.6096 5.95834 9.92026 numMergedOcc 0
26 mol 24 unq 2 iso 0 dist 8.12171 10.8208 4.2121 13.3998 6.72323 6.16544 numMergedOcc 0
27 mol 24 unq 2 iso 1 dist 8.12171 13.3998 6.72323 10.8208 4.2121 6.16544 numMergedOcc 0
28 mol 93 unq 0 iso 0 dist 6.58492 4.41856 8.89417 5.93923 9.95255 9.11219 numMergedOcc 0
29 mol 93 unq 0 iso 1 dist 6.58492 5.93923 9.95255 4.41856 8.89417 9.11219 numMergedOcc 0
30 mol 93 unq 1 iso 0 dist 7.63783 4.39585 8.89417 12.2294 9.95255 9.11219 numMergedOcc 0
31 mol 93 unq 1 iso 1 dist 7.63783 12.2294 9.95255 4.39585 8.89417 9.11219 numMergedOcc 0
32 mol 125 unq 0 iso 0 dist 5.05869 4.18419 6.11502 7.15048 6.33431 4.38093 numMergedOcc 0
33 mol 125 unq 0 iso 1 dist 5.05869 7.15048 6.33431 4.18419 6.11502 4.38093 numMergedOcc 0
34 mol 141 unq 0 iso 0 dist 6.8891 12.0582 9.10042 13.5187 9.75059 4.72386 numMergedOcc 0
35 mol 141 unq 0 iso 1 dist 6.8891 13.5187 9.75059 12.0582 9.10042 4.72386 numMergedOcc 0
36 mol 141 unq 1 iso 0 dist 6.8891 12.0582 9.10042 10.0354 6.83404 13.0212 numMergedOcc 0
37 mol 141 unq 1 iso 1 dist 6.8891 10.0354 6.83404 12.0582 9.10042 13.0212 numMergedOcc 0
38 mol 141 unq 1 iso 0 dist 6.8891 13.5187 9.75059 10.0354 6.83404 11.0187 numMergedOcc 0
39 mol 141 unq 1 iso 1 dist 6.8891 10.0354 6.83404 13.5187 9.75059 11.0187 numMergedOcc 0
40 mol 156 unq 0 iso 0 dist 6.29351 5.57422 5.41575 10.4496 6.86566 6.12113 numMergedOcc 0
41 mol 156 unq 0 iso 1 dist 6.29351 10.4496 6.86566 5.57422 5.41575 6.12113 numMergedOcc 0
42 mol 192 unq 0 iso 0 dist 7.57117 6.61047 8.26288 4.13141 6.60053 9.52218 numMergedOcc 0
43 mol 192 unq 0 iso 1 dist 7.57117 4.13141 6.60053 6.61047 8.26288 9.52218 numMergedOcc 0
44 mol 196 unq 0 iso 0 dist 6.23981 7.68725 7.21349 10.0025 9.62455 15.4429 numMergedOcc 0
45 mol 196 unq 0 iso 1 dist 6.23981 10.0025 9.62455 7.68725 7.21349 15.4429 numMergedOcc 0
46 mol 196 unq 1 iso 0 dist 8.27112 11.315 7.21349 9.11364 9.62455 15.4429 numMergedOcc 0
47 mol 196 unq 1 iso 1 dist 8.27112 9.11364 9.62455 11.315 7.21349 15.4429 numMergedOcc 0
48 mol 196 unq 2 iso 0 dist 8.24718 9.74385 7.21349 8.99329 9.62455 15.4429 numMergedOcc 0
49 mol 196 unq 2 iso 1 dist 8.24718 8.99329 9.62455 9.74385 7.21349 15.4429 numMergedOcc 0
50 mol 244 unq 0 iso 0 dist 9.28249 15.877 7.95359 6.12937 6.22122 10.6423 numMergedOcc 0
51 mol 244 unq 0 iso 1 dist 9.28249 6.12937 6.22122 15.877 7.95359 10.6423 numMergedOcc 0
52 mol 256 unq 0 iso 0 dist 7.36908 7.49849 4.98734 9.92311 6.37963 4.56465 numMergedOcc 0
53 mol 256 unq 0 iso 1 dist 7.36908 9.92311 6.37963 7.49849 4.98734 4.56465 numMergedOcc 0
54 mol 256 unq 1 iso 0 dist 7.36908 7.49849 4.98734 7.27553 8.16803 8.02729 numMergedOcc 0
55 mol 256 unq 1 iso 1 dist 7.36908 7.27553 8.16803 7.49849 4.98734 8.02729 numMergedOcc 0
56 mol 256 unq 1 iso 0 dist 7.36908 9.92311 6.37963 7.27553 8.16803 12.3316 numMergedOcc 0
57 mol 256 unq 1 iso 1 dist 7.36908 7.27553 8.16803 9.92311 6.37963 12.3316 numMergedOcc 0
58 mol 256 unq 2 iso 0 dist 5.2801 7.49849 6.33496 9.92311 6.00636 4.56465 numMergedOcc 0
59 mol 256 unq 2 iso 1 dist 5.2801 9.92311 6.00636 7.49849 6.33496 4.56465 numMergedOcc 0
60 mol 256 unq 3 iso 0 dist 5.2801 7.49849 6.33496 5.91322 7.81448 9.60398 numMergedOcc 0
61 mol 256 unq 3 iso 1 dist 5.2801 5.91322 7.81448 7.49849 6.33496 9.60398 numMergedOcc 0
62 mol 256 unq 4 iso 0 dist 5.2801 7.49849 6.33496 5.49322 8.54499 7.37964 numMergedOcc 0
63 mol 256 unq 4 iso 1 dist 5.2801 5.49322 8.54499 7.49849 6.33496 7.37964 numMergedOcc 0
64 mol 256 unq 3 iso 0 dist 5.2801 9.92311 6.00636 5.91322 7.81448 11.7084 numMergedOcc 0
65 mol 256 unq 3 iso 1 dist 5.2801 5.91322 7.81448 9.92311 6.00636 11.7084 numMergedOcc 0
66 mol 256 unq 4 iso 0 dist 5.2801 9.92311 6.00636 5.49322 8.54499 10.9861 numMergedOcc 0
67 mol 256 unq 4 iso 1 dist 5.2801 5.49322 8.54499 9.92311 6.00636 10.9861 numMergedOcc 0
68 mol 256 unq 4 iso 0 dist 5.2801 5.91322 7.81448 5.49322 8.54499 4.46458 numMergedOcc 0
69 mol 256 unq 4 iso 1 dist 5.2801 5.49322 8.54499 5.91322 7.81448 4.46458 numMergedOcc 0
70 mol 280 unq 0 iso 0 dist 9.33975 13.1036 6.73712 9.27897 9.35704 10.2665 numMergedOcc 0
71 mol 280 unq 0 iso 1 dist 9.33975 9.27897 9.35704 13.1036 6.73712 10.2665 numMergedOcc 0
72 mol 280 unq 1 iso 0 dist 7.18775 10.9171 6.73712 4.26671 9.35704 10.2665 numMergedOcc 0
73 mol 280 unq 1 iso 1 dist 7.18775 4.26671 9.35704 10.9171 6.73712 10.2665 numMergedOcc 0
