0 mol 11 unq 0 iso 0 dist 9.62742 9.42607 4.54527 6.20956 4.44069 6.79033 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 9.62742 6.20956 4.44069 9.42607 4.54527 6.79033 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 6.60128 9.4649 4.76553 6.45965 10.8382 13.0377 numMergedOcc 0
3 mol 18 unq 0 iso 1 dist 6.60128 6.45965 10.8382 9.4649 4.76553 13.0377 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 7.32126 6.46901 4.32471 9.30547 4.19866 6.97513 numMergedOcc 0
5 mol 46 unq 0 iso 1 dist 7.32126 9.30547 4.19866 6.46901 4.32471 6.97513 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 6.74134 7.98824 3.80683 9.42329 6.77296 3.94577 numMergedOcc 0
7 mol 76 unq 0 iso 1 dist 6.74134 9.42329 6.77296 7.98824 3.80683 3.94577 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 8.6786 7.11556 5.13555 6.15185 8.44185 4.01481 numMergedOcc 0
9 mol 100 unq 0 iso 1 dist 8.6786 6.15185 8.44185 7.11556 5.13555 4.01481 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 8.78439 9.71805 7.25051 4.9418 8.55092 8.6162 numMergedOcc 0
11 mol 103 unq 0 iso 1 dist 8.78439 4.9418 8.55092 9.71805 7.25051 8.6162 numMergedOcc 0
12 mol 103 unq 1 iso 0 dist 8.78439 9.71805 7.25051 5.7953 3.91289 8.84187 numMergedOcc 0
13 mol 103 unq 1 iso 1 dist 8.78439 5.7953 3.91289 9.71805 7.25051 8.84187 numMergedOcc 0
14 mol 103 unq 1 iso 0 dist 8.78439 4.9418 8.55092 5.7953 3.91289 7.44304 numMergedOcc 0
15 mol 103 unq 1 iso 1 dist 8.78439 5.7953 3.91289 4.9418 8.55092 7.44304 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 5.55005 5.93206 4.72156 7.73529 3.90222 6.14668 numMergedOcc 0
17 mol 109 unq 0 iso 1 dist 5.55005 7.73529 3.90222 5.93206 4.72156 6.14668 numMergedOcc 0
18 mol 123 unq 0 iso 0 dist 8.98076 6.9952 10.461 9.30054 4.22065 9.9673 numMergedOcc 0
19 mol 123 unq 0 iso 1 dist 8.98076 9.30054 4.22065 6.9952 10.461 9.9673 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 6.47392 8.47476 10.5086 6.74947 8.78038 15.1471 numMergedOcc 0
21 mol 141 unq 0 iso 1 dist 6.47392 6.74947 8.78038 8.47476 10.5086 15.1471 numMergedOcc 0
22 mol 154 unq 0 iso 0 dist 8.27247 5.67586 4.25621 7.53235 5.02768 7.22219 numMergedOcc 0
23 mol 154 unq 0 iso 1 dist 8.27247 7.53235 5.02768 5.67586 4.25621 7.22219 numMergedOcc 0
24 mol 154 unq 1 iso 0 dist 7.80275 5.67586 6.83168 7.53235 4.27253 7.22219 numMergedOcc 0
25 mol 154 unq 1 iso 1 dist 7.80275 7.53235 4.27253 5.67586 6.83168 7.22219 numMergedOcc 0
26 mol 167 unq 0 iso 0 dist 9.15244 9.08229 4.74884 7.99057 6.44271 10.2212 numMergedOcc 0
27 mol 167 unq 0 iso 1 dist 9.15244 7.99057 6.44271 9.08229 4.74884 10.2212 numMergedOcc 0
28 mol 167 unq 1 iso 0 dist 8.08948 9.08229 14.6278 7.99057 7.06542 10.2212 numMergedOcc 0
29 mol 167 unq 1 iso 1 dist 8.08948 7.99057 7.06542 9.08229 14.6278 10.2212 numMergedOcc 0
30 mol 176 unq 0 iso 0 dist 9.37716 7.75061 10.6298 9.11609 5.41212 13.7814 numMergedOcc 0
31 mol 176 unq 0 iso 1 dist 9.37716 9.11609 5.41212 7.75061 10.6298 13.7814 numMergedOcc 0
32 mol 176 unq 1 iso 0 dist 9.37716 7.75061 10.6298 8.85187 8.19458 14.4384 numMergedOcc 0
33 mol 176 unq 1 iso 1 dist 9.37716 8.85187 8.19458 7.75061 10.6298 14.4384 numMergedOcc 0
34 mol 176 unq 2 iso 0 dist 9.37716 7.75061 10.6298 9.44083 14.6456 4.22281 numMergedOcc 0
35 mol 176 unq 2 iso 1 dist 9.37716 9.44083 14.6456 7.75061 10.6298 4.22281 numMergedOcc 0
36 mol 176 unq 1 iso 0 dist 9.37716 9.11609 5.41212 8.85187 8.19458 3.71917 numMergedOcc 0
37 mol 176 unq 1 iso 1 dist 9.37716 8.85187 8.19458 9.11609 5.41212 3.71917 numMergedOcc 0
38 mol 176 unq 2 iso 0 dist 9.37716 9.11609 5.41212 9.44083 14.6456 17.1614 numMergedOcc 0
39 mol 176 unq 2 iso 1 dist 9.37716 9.44083 14.6456 9.11609 5.41212 17.1614 numMergedOcc 0
40 mol 176 unq 2 iso 0 dist 9.37716 8.85187 8.19458 9.44083 14.6456 17.2989 numMergedOcc 0
41 mol 176 unq 2 iso 1 dist 9.37716 9.44083 14.6456 8.85187 8.19458 17.2989 numMergedOcc 0
42 mol 220 unq 0 iso 0 dist 7.30288 9.39546 9.92692 4.17978 6.85536 6.49745 numMergedOcc 0
43 mol 220 unq 0 iso 1 dist 7.30288 4.17978 6.85536 9.39546 9.92692 6.49745 numMergedOcc 0
44 mol 292 unq 0 iso 0 dist 6.18484 9.05047 6.40429 7.24072 4.34283 3.71231 numMergedOcc 0
45 mol 292 unq 0 iso 1 dist 6.18484 7.24072 4.34283 9.05047 6.40429 3.71231 numMergedOcc 0
