0 mol 9 unq 0 iso 0 dist 5.71201 4.09467 8.59513 6.00657 6.59312 5.47 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 5.71201 6.00657 6.59312 4.09467 8.59513 5.47 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 4.90592 4.21283 7.85986 4.97191 4.30252 6.0925 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 4.90592 4.97191 4.30252 4.21283 7.85986 6.0925 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.36461 15.6099 7.85986 12.5557 4.30252 6.0925 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 9.36461 12.5557 4.30252 15.6099 7.85986 6.0925 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 6.15801 4.06864 8.0991 5.9339 9.95093 4.74094 numMergedOcc 0
7 mol 34 unq 0 iso 1 dist 6.15801 5.9339 9.95093 4.06864 8.0991 4.74094 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 7.59316 5.15398 6.28603 8.66294 8.80303 3.86264 numMergedOcc 0
9 mol 48 unq 0 iso 1 dist 7.59316 8.66294 8.80303 5.15398 6.28603 3.86264 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 7.59316 5.15398 6.28603 12.5266 7.11491 8.66712 numMergedOcc 0
11 mol 48 unq 1 iso 1 dist 7.59316 12.5266 7.11491 5.15398 6.28603 8.66712 numMergedOcc 0
12 mol 48 unq 1 iso 0 dist 7.59316 8.66294 8.80303 12.5266 7.11491 9.07711 numMergedOcc 0
13 mol 48 unq 1 iso 1 dist 7.59316 12.5266 7.11491 8.66294 8.80303 9.07711 numMergedOcc 0
14 mol 48 unq 2 iso 0 dist 7.51285 5.15603 5.73454 8.37489 8.2012 3.69391 numMergedOcc 0
15 mol 48 unq 2 iso 1 dist 7.51285 8.37489 8.2012 5.15603 5.73454 3.69391 numMergedOcc 0
16 mol 48 unq 3 iso 0 dist 7.51285 5.15603 5.73454 12.6408 7.1829 8.61401 numMergedOcc 0
17 mol 48 unq 3 iso 1 dist 7.51285 12.6408 7.1829 5.15603 5.73454 8.61401 numMergedOcc 0
18 mol 48 unq 3 iso 0 dist 7.51285 8.37489 8.2012 12.6408 7.1829 9.16142 numMergedOcc 0
19 mol 48 unq 3 iso 1 dist 7.51285 12.6408 7.1829 8.37489 8.2012 9.16142 numMergedOcc 0
20 mol 48 unq 4 iso 0 dist 8.86698 8.08481 5.73454 5.87913 8.2012 3.69391 numMergedOcc 0
21 mol 48 unq 4 iso 1 dist 8.86698 5.87913 8.2012 8.08481 5.73454 3.69391 numMergedOcc 0
22 mol 48 unq 5 iso 0 dist 8.86698 8.08481 5.73454 9.01238 7.1829 8.61401 numMergedOcc 0
23 mol 48 unq 5 iso 1 dist 8.86698 9.01238 7.1829 8.08481 5.73454 8.61401 numMergedOcc 0
24 mol 48 unq 5 iso 0 dist 8.86698 5.87913 8.2012 9.01238 7.1829 9.16142 numMergedOcc 0
25 mol 48 unq 5 iso 1 dist 8.86698 9.01238 7.1829 5.87913 8.2012 9.16142 numMergedOcc 0
26 mol 85 unq 0 iso 0 dist 8.70863 14.1233 8.04853 14.3481 6.46549 8.06192 numMergedOcc 0
27 mol 85 unq 0 iso 1 dist 8.70863 14.3481 6.46549 14.1233 8.04853 8.06192 numMergedOcc 0
28 mol 135 unq 0 iso 0 dist 9.40325 6.40035 8.72359 15.0661 7.02963 14.3156 numMergedOcc 0
29 mol 135 unq 0 iso 1 dist 9.40325 15.0661 7.02963 6.40035 8.72359 14.3156 numMergedOcc 0
30 mol 135 unq 1 iso 0 dist 8.25527 9.24509 8.72359 8.72293 7.02963 14.3156 numMergedOcc 0
31 mol 135 unq 1 iso 1 dist 8.25527 8.72293 7.02963 9.24509 8.72359 14.3156 numMergedOcc 0
32 mol 135 unq 2 iso 0 dist 8.83856 15.5423 8.72359 6.66299 7.02963 14.3156 numMergedOcc 0
33 mol 135 unq 2 iso 1 dist 8.83856 6.66299 7.02963 15.5423 8.72359 14.3156 numMergedOcc 0
34 mol 141 unq 0 iso 0 dist 6.73983 13.2445 8.40695 11.2655 9.35867 5.71798 numMergedOcc 0
35 mol 141 unq 0 iso 1 dist 6.73983 11.2655 9.35867 13.2445 8.40695 5.71798 numMergedOcc 0
36 mol 141 unq 1 iso 0 dist 8.6387 14.0635 8.40695 12.7431 9.35867 5.71798 numMergedOcc 0
37 mol 141 unq 1 iso 1 dist 8.6387 12.7431 9.35867 14.0635 8.40695 5.71798 numMergedOcc 0
38 mol 186 unq 0 iso 0 dist 4.5271 6.50208 7.37629 6.3786 5.68985 3.09727 numMergedOcc 0
39 mol 186 unq 0 iso 1 dist 4.5271 6.3786 5.68985 6.50208 7.37629 3.09727 numMergedOcc 0
40 mol 205 unq 0 iso 0 dist 8.07076 4.16557 6.81516 8.70828 9.17562 10.1158 numMergedOcc 0
41 mol 205 unq 0 iso 1 dist 8.07076 8.70828 9.17562 4.16557 6.81516 10.1158 numMergedOcc 0
42 mol 205 unq 1 iso 0 dist 5.95375 7.1653 6.81516 6.72925 9.17562 10.1158 numMergedOcc 0
43 mol 205 unq 1 iso 1 dist 5.95375 6.72925 9.17562 7.1653 6.81516 10.1158 numMergedOcc 0
44 mol 205 unq 2 iso 0 dist 9.17946 11.5523 6.81516 10.2944 9.17562 10.1158 numMergedOcc 0
45 mol 205 unq 2 iso 1 dist 9.17946 10.2944 9.17562 11.5523 6.81516 10.1158 numMergedOcc 0
46 mol 253 unq 0 iso 0 dist 8.15091 8.4971 9.82605 4.30218 9.73723 5.00013 numMergedOcc 0
47 mol 253 unq 0 iso 1 dist 8.15091 4.30218 9.73723 8.4971 9.82605 5.00013 numMergedOcc 0
48 mol 260 unq 0 iso 0 dist 7.99521 5.42399 6.49413 10.39 6.12343 5.97214 numMergedOcc 0
49 mol 260 unq 0 iso 1 dist 7.99521 10.39 6.12343 5.42399 6.49413 5.97214 numMergedOcc 0
50 mol 260 unq 1 iso 0 dist 7.99521 5.42399 6.49413 9.79316 4.52405 8.11213 numMergedOcc 0
51 mol 260 unq 1 iso 1 dist 7.99521 9.79316 4.52405 5.42399 6.49413 8.11213 numMergedOcc 0
52 mol 260 unq 1 iso 0 dist 7.99521 10.39 6.12343 9.79316 4.52405 8.76827 numMergedOcc 0
53 mol 260 unq 1 iso 1 dist 7.99521 9.79316 4.52405 10.39 6.12343 8.76827 numMergedOcc 0
54 mol 278 unq 0 iso 0 dist 7.21972 8.48896 8.1769 4.35961 7.1656 4.88683 numMergedOcc 0
55 mol 278 unq 0 iso 1 dist 7.21972 4.35961 7.1656 8.48896 8.1769 4.88683 numMergedOcc 0
56 mol 285 unq 0 iso 0 dist 6.74142 8.03918 8.79261 11.1127 9.99125 4.87372 numMergedOcc 0
57 mol 285 unq 0 iso 1 dist 6.74142 11.1127 9.99125 8.03918 8.79261 4.87372 numMergedOcc 0
