0 mol 85 unq 0 iso 0 dist 9.66549 9.37034 13.2642 6.60091 14.6943 9.06957 numMergedOcc 0
1 mol 85 unq 0 iso 1 dist 9.66549 6.60091 14.6943 9.37034 13.2642 9.06957 numMergedOcc 0
2 mol 86 unq 0 iso 0 dist 9.97991 8.20932 9.09514 9.81596 5.67589 11.3097 numMergedOcc 0
3 mol 86 unq 0 iso 1 dist 9.97991 9.81596 5.67589 8.20932 9.09514 11.3097 numMergedOcc 0
4 mol 183 unq 0 iso 0 dist 8.58404 8.22495 8.4495 8.39603 3.94874 5.77399 numMergedOcc 0
5 mol 183 unq 0 iso 1 dist 8.58404 8.39603 3.94874 8.22495 8.4495 5.77399 numMergedOcc 0
6 mol 183 unq 1 iso 0 dist 8.1126 8.22495 5.86369 8.39603 4.44329 5.77399 numMergedOcc 0
7 mol 183 unq 1 iso 1 dist 8.1126 8.39603 4.44329 8.22495 5.86369 5.77399 numMergedOcc 0
8 mol 258 unq 0 iso 0 dist 8.62592 7.87577 5.66907 5.86702 9.6053 5.31174 numMergedOcc 0
9 mol 258 unq 0 iso 1 dist 8.62592 5.86702 9.6053 7.87577 5.66907 5.31174 numMergedOcc 0
10 mol 266 unq 0 iso 0 dist 9.8678 9.87436 6.95887 7.27283 9.81993 11.0913 numMergedOcc 0
11 mol 266 unq 0 iso 1 dist 9.8678 7.27283 9.81993 9.87436 6.95887 11.0913 numMergedOcc 0
12 mol 266 unq 1 iso 0 dist 8.00278 9.87436 4.67233 7.27283 10.9633 11.0913 numMergedOcc 0
13 mol 266 unq 1 iso 1 dist 8.00278 7.27283 10.9633 9.87436 4.67233 11.0913 numMergedOcc 0
14 mol 266 unq 2 iso 0 dist 9.10275 6.25877 6.95887 8.35447 9.81993 11.0913 numMergedOcc 0
15 mol 266 unq 2 iso 1 dist 9.10275 8.35447 9.81993 6.25877 6.95887 11.0913 numMergedOcc 0
16 mol 266 unq 3 iso 0 dist 6.13722 6.25877 4.67233 8.35447 10.9633 11.0913 numMergedOcc 0
17 mol 266 unq 3 iso 1 dist 6.13722 8.35447 10.9633 6.25877 4.67233 11.0913 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 9.96682 8.95153 5.02003 7.1255 10.1758 5.85211 numMergedOcc 0
19 mol 274 unq 0 iso 1 dist 9.96682 7.1255 10.1758 8.95153 5.02003 5.85211 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 8.19213 4.75392 9.71795 8.61667 11.3286 5.04495 numMergedOcc 0
21 mol 287 unq 0 iso 1 dist 8.19213 8.61667 11.3286 4.75392 9.71795 5.04495 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 5.80664 4.75392 8.74583 8.61667 9.70279 5.04495 numMergedOcc 0
23 mol 287 unq 1 iso 1 dist 5.80664 8.61667 9.70279 4.75392 8.74583 5.04495 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 8.19213 4.75392 9.71795 8.61667 11.3286 5.04495 numMergedOcc 0
25 mol 288 unq 0 iso 1 dist 8.19213 8.61667 11.3286 4.75392 9.71795 5.04495 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 5.80664 4.75392 8.74583 8.61667 9.70279 5.04495 numMergedOcc 0
27 mol 288 unq 1 iso 1 dist 5.80664 8.61667 9.70279 4.75392 8.74583 5.04495 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 8.19213 4.75392 9.71795 8.61667 11.3286 5.04495 numMergedOcc 0
29 mol 289 unq 0 iso 1 dist 8.19213 8.61667 11.3286 4.75392 9.71795 5.04495 numMergedOcc 0
30 mol 289 unq 1 iso 0 dist 5.80664 4.75392 8.74583 8.61667 9.70279 5.04495 numMergedOcc 0
31 mol 289 unq 1 iso 1 dist 5.80664 8.61667 9.70279 4.75392 8.74583 5.04495 numMergedOcc 0
32 mol 294 unq 0 iso 0 dist 8.74181 9.83567 11.2467 9.49433 4.84965 8.57277 numMergedOcc 0
33 mol 294 unq 0 iso 1 dist 8.74181 9.49433 4.84965 9.83567 11.2467 8.57277 numMergedOcc 0
34 mol 294 unq 1 iso 0 dist 8.96987 9.83567 11.3882 9.49433 9.56909 8.57277 numMergedOcc 0
35 mol 294 unq 1 iso 1 dist 8.96987 9.49433 9.56909 9.83567 11.3882 8.57277 numMergedOcc 0
