0 mol 41 unq 0 iso 0 dist 9.09272 9.49532 9.17982 15.8108 9.62869 8.4027 numMergedOcc 0
1 mol 41 unq 0 iso 1 dist 9.09272 15.8108 9.62869 9.49532 9.17982 8.4027 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 9.09272 9.49532 9.17982 5.36379 6.40219 4.89793 numMergedOcc 0
3 mol 41 unq 1 iso 1 dist 9.09272 5.36379 6.40219 9.49532 9.17982 4.89793 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 9.09272 15.8108 9.62869 5.36379 6.40219 10.876 numMergedOcc 0
5 mol 41 unq 1 iso 1 dist 9.09272 5.36379 6.40219 15.8108 9.62869 10.876 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 6.66351 4.88307 7.15542 10.6231 8.89047 6.87266 numMergedOcc 0
7 mol 48 unq 0 iso 1 dist 6.66351 10.6231 8.89047 4.88307 7.15542 6.87266 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 6.66351 4.88307 7.15542 9.23151 8.89003 4.62605 numMergedOcc 0
9 mol 48 unq 1 iso 1 dist 6.66351 9.23151 8.89003 4.88307 7.15542 4.62605 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 6.66351 10.6231 8.89047 9.23151 8.89003 3.23184 numMergedOcc 0
11 mol 48 unq 1 iso 1 dist 6.66351 9.23151 8.89003 10.6231 8.89047 3.23184 numMergedOcc 0
12 mol 48 unq 2 iso 0 dist 9.56608 6.86738 7.15542 3.61974 8.89047 6.87266 numMergedOcc 0
13 mol 48 unq 2 iso 1 dist 9.56608 3.61974 8.89047 6.86738 7.15542 6.87266 numMergedOcc 0
14 mol 48 unq 3 iso 0 dist 9.56608 6.86738 7.15542 5.0726 8.89003 4.62605 numMergedOcc 0
15 mol 48 unq 3 iso 1 dist 9.56608 5.0726 8.89003 6.86738 7.15542 4.62605 numMergedOcc 0
16 mol 48 unq 3 iso 0 dist 9.56608 3.61974 8.89047 5.0726 8.89003 3.23184 numMergedOcc 0
17 mol 48 unq 3 iso 1 dist 9.56608 5.0726 8.89003 3.61974 8.89047 3.23184 numMergedOcc 0
18 mol 48 unq 4 iso 0 dist 8.66127 10.1375 7.15542 8.32251 8.89047 6.87266 numMergedOcc 0
19 mol 48 unq 4 iso 1 dist 8.66127 8.32251 8.89047 10.1375 7.15542 6.87266 numMergedOcc 0
20 mol 48 unq 5 iso 0 dist 8.66127 10.1375 7.15542 10.2264 8.89003 4.62605 numMergedOcc 0
21 mol 48 unq 5 iso 1 dist 8.66127 10.2264 8.89003 10.1375 7.15542 4.62605 numMergedOcc 0
22 mol 48 unq 5 iso 0 dist 8.66127 8.32251 8.89047 10.2264 8.89003 3.23184 numMergedOcc 0
23 mol 48 unq 5 iso 1 dist 8.66127 10.2264 8.89003 8.32251 8.89047 3.23184 numMergedOcc 0
24 mol 109 unq 0 iso 0 dist 8.40136 12.7275 8.11702 7.43256 7.44558 9.99088 numMergedOcc 0
25 mol 109 unq 0 iso 1 dist 8.40136 7.43256 7.44558 12.7275 8.11702 9.99088 numMergedOcc 0
26 mol 109 unq 1 iso 0 dist 5.27546 7.10544 8.11702 7.41929 7.44558 9.99088 numMergedOcc 0
27 mol 109 unq 1 iso 1 dist 5.27546 7.41929 7.44558 7.10544 8.11702 9.99088 numMergedOcc 0
28 mol 109 unq 2 iso 0 dist 8.42671 8.5131 8.11702 4.52914 7.44558 9.99088 numMergedOcc 0
29 mol 109 unq 2 iso 1 dist 8.42671 4.52914 7.44558 8.5131 8.11702 9.99088 numMergedOcc 0
30 mol 111 unq 0 iso 0 dist 8.79611 6.4659 9.06601 4.33993 5.98809 8.72808 numMergedOcc 0
31 mol 111 unq 0 iso 1 dist 8.79611 4.33993 5.98809 6.4659 9.06601 8.72808 numMergedOcc 0
32 mol 111 unq 1 iso 0 dist 6.20845 8.74843 9.06601 3.8652 5.98809 8.72808 numMergedOcc 0
33 mol 111 unq 1 iso 1 dist 6.20845 3.8652 5.98809 8.74843 9.06601 8.72808 numMergedOcc 0
34 mol 115 unq 0 iso 0 dist 6.62424 6.61822 5.93278 3.71319 6.19918 3.19822 numMergedOcc 0
35 mol 115 unq 0 iso 1 dist 6.62424 3.71319 6.19918 6.61822 5.93278 3.19822 numMergedOcc 0
36 mol 117 unq 0 iso 0 dist 8.34279 12.9132 7.78789 7.61232 7.42146 9.77711 numMergedOcc 0
37 mol 117 unq 0 iso 1 dist 8.34279 7.61232 7.42146 12.9132 7.78789 9.77711 numMergedOcc 0
38 mol 117 unq 1 iso 0 dist 5.06108 7.49865 7.78789 7.39686 7.42146 9.77711 numMergedOcc 0
39 mol 117 unq 1 iso 1 dist 5.06108 7.39686 7.42146 7.49865 7.78789 9.77711 numMergedOcc 0
40 mol 117 unq 2 iso 0 dist 8.51518 8.54025 7.78789 4.66313 7.42146 9.77711 numMergedOcc 0
41 mol 117 unq 2 iso 1 dist 8.51518 4.66313 7.42146 8.54025 7.78789 9.77711 numMergedOcc 0
42 mol 213 unq 0 iso 0 dist 5.33408 14.0479 9.09354 3.83534 4.66576 11.4531 numMergedOcc 0
43 mol 213 unq 0 iso 1 dist 5.33408 3.83534 4.66576 14.0479 9.09354 11.4531 numMergedOcc 0
44 mol 253 unq 0 iso 0 dist 8.77809 3.58204 9.19385 12.3149 7.14243 11.5519 numMergedOcc 0
45 mol 253 unq 0 iso 1 dist 8.77809 12.3149 7.14243 3.58204 9.19385 11.5519 numMergedOcc 0
46 mol 253 unq 1 iso 0 dist 8.77809 3.58204 9.19385 14.014 5.77511 13.6905 numMergedOcc 0
47 mol 253 unq 1 iso 1 dist 8.77809 14.014 5.77511 3.58204 9.19385 13.6905 numMergedOcc 0
48 mol 253 unq 2 iso 0 dist 8.77809 3.58204 9.19385 15.8583 7.81382 15.953 numMergedOcc 0
49 mol 253 unq 2 iso 1 dist 8.77809 15.8583 7.81382 3.58204 9.19385 15.953 numMergedOcc 0
50 mol 253 unq 1 iso 0 dist 8.77809 12.3149 7.14243 14.014 5.77511 5.35859 numMergedOcc 0
51 mol 253 unq 1 iso 1 dist 8.77809 14.014 5.77511 12.3149 7.14243 5.35859 numMergedOcc 0
52 mol 253 unq 2 iso 0 dist 8.77809 12.3149 7.14243 15.8583 7.81382 6.37556 numMergedOcc 0
53 mol 253 unq 2 iso 1 dist 8.77809 15.8583 7.81382 12.3149 7.14243 6.37556 numMergedOcc 0
54 mol 253 unq 2 iso 0 dist 8.77809 14.014 5.77511 15.8583 7.81382 3.10832 numMergedOcc 0
55 mol 253 unq 2 iso 1 dist 8.77809 15.8583 7.81382 14.014 5.77511 3.10832 numMergedOcc 0
56 mol 285 unq 0 iso 0 dist 6.93959 6.42907 6.71946 9.45764 8.28061 9.00617 numMergedOcc 0
57 mol 285 unq 0 iso 1 dist 6.93959 9.45764 8.28061 6.42907 6.71946 9.00617 numMergedOcc 0
58 mol 285 unq 1 iso 0 dist 6.93959 6.42907 6.71946 5.62003 5.03601 7.33055 numMergedOcc 0
59 mol 285 unq 1 iso 1 dist 6.93959 5.62003 5.03601 6.42907 6.71946 7.33055 numMergedOcc 0
60 mol 285 unq 1 iso 0 dist 6.93959 9.45764 8.28061 5.62003 5.03601 4.55612 numMergedOcc 0
61 mol 285 unq 1 iso 1 dist 6.93959 5.62003 5.03601 9.45764 8.28061 4.55612 numMergedOcc 0
62 mol 285 unq 2 iso 0 dist 8.25984 10.5527 6.71946 13.7336 8.28061 9.00617 numMergedOcc 0
63 mol 285 unq 2 iso 1 dist 8.25984 13.7336 8.28061 10.5527 6.71946 9.00617 numMergedOcc 0
64 mol 285 unq 3 iso 0 dist 8.25984 10.5527 6.71946 9.20863 5.03601 7.33055 numMergedOcc 0
65 mol 285 unq 3 iso 1 dist 8.25984 9.20863 5.03601 10.5527 6.71946 7.33055 numMergedOcc 0
66 mol 285 unq 3 iso 0 dist 8.25984 13.7336 8.28061 9.20863 5.03601 4.55612 numMergedOcc 0
67 mol 285 unq 3 iso 1 dist 8.25984 9.20863 5.03601 13.7336 8.28061 4.55612 numMergedOcc 0
68 mol 292 unq 0 iso 0 dist 6.20261 11.8232 9.96374 3.90348 5.41432 8.12358 numMergedOcc 0
69 mol 292 unq 0 iso 1 dist 6.20261 3.90348 5.41432 11.8232 9.96374 8.12358 numMergedOcc 0
