0 mol 54 unq 0 iso 0 dist 6.77145 4.87397 4.83453 5.99879 8.52308 7.47787 numMergedOcc 0
1 mol 54 unq 0 iso 1 dist 4.87397 6.77145 4.83453 5.99879 7.47787 8.52308 numMergedOcc 0
2 mol 96 unq 0 iso 0 dist 7.57442 8.73938 10.4392 9.25941 5.68957 13.3291 numMergedOcc 0
3 mol 96 unq 0 iso 1 dist 8.73938 7.57442 10.4392 9.25941 13.3291 5.68957 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 9.42444 9.64736 7.56588 9.42064 10.7349 4.45483 numMergedOcc 0
5 mol 103 unq 0 iso 1 dist 9.64736 9.42444 7.56588 9.42064 4.45483 10.7349 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 7.99121 6.30982 5.11161 8.93793 9.79211 5.02086 numMergedOcc 0
7 mol 115 unq 0 iso 1 dist 6.30982 7.99121 5.11161 8.93793 5.02086 9.79211 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 7.99121 6.12404 10.7282 8.93793 9.79211 4.8448 numMergedOcc 0
9 mol 115 unq 1 iso 1 dist 6.12404 7.99121 10.7282 8.93793 4.8448 9.79211 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 6.30982 6.12404 6.56935 8.93793 5.02086 4.8448 numMergedOcc 0
11 mol 115 unq 1 iso 1 dist 6.12404 6.30982 6.56935 8.93793 4.8448 5.02086 numMergedOcc 0
12 mol 128 unq 0 iso 0 dist 8.54297 9.35162 6.8513 6.49794 5.72562 7.5191 numMergedOcc 0
13 mol 128 unq 0 iso 1 dist 9.35162 8.54297 6.8513 6.49794 7.5191 5.72562 numMergedOcc 0
14 mol 183 unq 0 iso 0 dist 8.58404 8.1126 3.75614 8.22495 8.4495 5.86369 numMergedOcc 0
15 mol 183 unq 0 iso 1 dist 8.1126 8.58404 3.75614 8.22495 5.86369 8.4495 numMergedOcc 0
16 mol 183 unq 1 iso 0 dist 8.58404 8.1126 3.75614 8.39603 3.94874 4.44329 numMergedOcc 0
17 mol 183 unq 1 iso 1 dist 8.1126 8.58404 3.75614 8.39603 4.44329 3.94874 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 4.43243 5.92025 5.26871 7.61854 4.60599 4.24722 numMergedOcc 0
19 mol 236 unq 0 iso 1 dist 5.92025 4.43243 5.26871 7.61854 4.24722 4.60599 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 4.43243 9.04819 11.4554 7.61854 4.60599 13.0221 numMergedOcc 0
21 mol 236 unq 1 iso 1 dist 9.04819 4.43243 11.4554 7.61854 13.0221 4.60599 numMergedOcc 0
22 mol 236 unq 1 iso 0 dist 5.92025 9.04819 8.96137 7.61854 4.24722 13.0221 numMergedOcc 0
23 mol 236 unq 1 iso 1 dist 9.04819 5.92025 8.96137 7.61854 13.0221 4.24722 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 9.8678 8.00278 4.78111 9.87436 6.95887 4.67233 numMergedOcc 0
25 mol 266 unq 0 iso 1 dist 8.00278 9.8678 4.78111 9.87436 4.67233 6.95887 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 9.8678 8.00278 4.78111 7.27283 9.81993 10.9633 numMergedOcc 0
27 mol 266 unq 1 iso 1 dist 8.00278 9.8678 4.78111 7.27283 10.9633 9.81993 numMergedOcc 0
28 mol 266 unq 2 iso 0 dist 9.10275 6.13722 4.78111 6.25877 6.95887 4.67233 numMergedOcc 0
29 mol 266 unq 2 iso 1 dist 6.13722 9.10275 4.78111 6.25877 4.67233 6.95887 numMergedOcc 0
30 mol 266 unq 3 iso 0 dist 9.10275 6.13722 4.78111 8.35447 9.81993 10.9633 numMergedOcc 0
31 mol 266 unq 3 iso 1 dist 6.13722 9.10275 4.78111 8.35447 10.9633 9.81993 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 8.19213 5.80664 8.46742 4.75392 9.71795 8.74583 numMergedOcc 0
33 mol 287 unq 0 iso 1 dist 5.80664 8.19213 8.46742 4.75392 8.74583 9.71795 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 8.19213 5.80664 8.46742 8.61667 11.3286 9.70279 numMergedOcc 0
35 mol 287 unq 1 iso 1 dist 5.80664 8.19213 8.46742 8.61667 9.70279 11.3286 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 8.19213 5.80664 8.46742 4.75392 9.71795 8.74583 numMergedOcc 0
37 mol 288 unq 0 iso 1 dist 5.80664 8.19213 8.46742 4.75392 8.74583 9.71795 numMergedOcc 0
38 mol 288 unq 1 iso 0 dist 8.19213 5.80664 8.46742 8.61667 11.3286 9.70279 numMergedOcc 0
39 mol 288 unq 1 iso 1 dist 5.80664 8.19213 8.46742 8.61667 9.70279 11.3286 numMergedOcc 0
40 mol 289 unq 0 iso 0 dist 8.19213 5.80664 8.46742 4.75392 9.71795 8.74583 numMergedOcc 0
41 mol 289 unq 0 iso 1 dist 5.80664 8.19213 8.46742 4.75392 8.74583 9.71795 numMergedOcc 0
42 mol 289 unq 1 iso 0 dist 8.19213 5.80664 8.46742 8.61667 11.3286 9.70279 numMergedOcc 0
43 mol 289 unq 1 iso 1 dist 5.80664 8.19213 8.46742 8.61667 9.70279 11.3286 numMergedOcc 0
44 mol 294 unq 0 iso 0 dist 8.74181 8.96987 6.19256 9.83567 11.2467 11.3882 numMergedOcc 0
45 mol 294 unq 0 iso 1 dist 8.96987 8.74181 6.19256 9.83567 11.3882 11.2467 numMergedOcc 0
46 mol 294 unq 1 iso 0 dist 8.74181 8.96987 6.19256 9.49433 4.84965 9.56909 numMergedOcc 0
47 mol 294 unq 1 iso 1 dist 8.96987 8.74181 6.19256 9.49433 9.56909 4.84965 numMergedOcc 0
