0 mol 43 unq 0 iso 0 dist 8.54999 9.72036 3.83842 9.3718 9.44478 9.30704 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.54999 9.3718 9.44478 9.72036 3.83842 9.30704 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 6.00684 6.29267 4.15002 9.64361 8.46282 9.02602 numMergedOcc 0
3 mol 79 unq 0 iso 1 dist 6.00684 9.64361 8.46282 6.29267 4.15002 9.02602 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.37034 8.15861 4.8069 9.27814 17.0484 16.3912 numMergedOcc 0
5 mol 85 unq 0 iso 1 dist 9.37034 9.27814 17.0484 8.15861 4.8069 16.3912 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.60091 8.15861 10.0178 9.27814 14.189 16.3912 numMergedOcc 0
7 mol 85 unq 1 iso 1 dist 6.60091 9.27814 14.189 8.15861 10.0178 16.3912 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 6.24768 7.65919 4.82514 8.55413 8.89777 9.76537 numMergedOcc 0
9 mol 116 unq 0 iso 1 dist 6.24768 8.55413 8.89777 7.65919 4.82514 9.76537 numMergedOcc 0
10 mol 116 unq 1 iso 0 dist 9.31875 7.65919 8.63935 8.55413 12.5145 9.76537 numMergedOcc 0
11 mol 116 unq 1 iso 1 dist 9.31875 8.55413 12.5145 7.65919 8.63935 9.76537 numMergedOcc 0
12 mol 176 unq 0 iso 0 dist 7.36833 8.00223 11.2094 9.60695 9.89989 4.75543 numMergedOcc 0
13 mol 176 unq 0 iso 1 dist 7.36833 9.60695 9.89989 8.00223 11.2094 4.75543 numMergedOcc 0
14 mol 212 unq 0 iso 0 dist 9.50443 8.13391 7.72226 8.4285 4.18876 3.62594 numMergedOcc 0
15 mol 212 unq 0 iso 1 dist 9.50443 8.4285 4.18876 8.13391 7.72226 3.62594 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.19442 7.45508 11.6389 5.79883 10.1445 12.7924 numMergedOcc 0
17 mol 239 unq 0 iso 1 dist 9.19442 5.79883 10.1445 7.45508 11.6389 12.7924 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 8.95153 5.77565 4.66969 6.32853 5.69247 5.57024 numMergedOcc 0
19 mol 274 unq 0 iso 1 dist 8.95153 6.32853 5.69247 5.77565 4.66969 5.57024 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 7.1255 5.77565 4.0143 6.32853 3.88948 5.57024 numMergedOcc 0
21 mol 274 unq 1 iso 1 dist 7.1255 6.32853 3.88948 5.77565 4.0143 5.57024 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 4.75392 8.15636 5.15725 7.86292 7.67235 6.88819 numMergedOcc 0
23 mol 287 unq 0 iso 1 dist 4.75392 7.86292 7.67235 8.15636 5.15725 6.88819 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 8.61667 8.15636 7.46917 7.86292 7.99757 6.88819 numMergedOcc 0
25 mol 287 unq 1 iso 1 dist 8.61667 7.86292 7.99757 8.15636 7.46917 6.88819 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 4.75392 8.15636 5.15725 7.86292 7.67235 6.88819 numMergedOcc 0
27 mol 288 unq 0 iso 1 dist 4.75392 7.86292 7.67235 8.15636 5.15725 6.88819 numMergedOcc 0
28 mol 288 unq 1 iso 0 dist 8.61667 8.15636 7.46917 7.86292 7.99757 6.88819 numMergedOcc 0
29 mol 288 unq 1 iso 1 dist 8.61667 7.86292 7.99757 8.15636 7.46917 6.88819 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 4.75392 8.15636 5.15725 7.86292 7.67235 6.88819 numMergedOcc 0
31 mol 289 unq 0 iso 1 dist 4.75392 7.86292 7.67235 8.15636 5.15725 6.88819 numMergedOcc 0
32 mol 289 unq 1 iso 0 dist 8.61667 8.15636 7.46917 7.86292 7.99757 6.88819 numMergedOcc 0
33 mol 289 unq 1 iso 1 dist 8.61667 7.86292 7.99757 8.15636 7.46917 6.88819 numMergedOcc 0
34 mol 294 unq 0 iso 0 dist 9.83567 8.81999 11.2327 4.83062 8.67831 11.8335 numMergedOcc 0
35 mol 294 unq 0 iso 1 dist 9.83567 4.83062 8.67831 8.81999 11.2327 11.8335 numMergedOcc 0
36 mol 294 unq 1 iso 0 dist 9.83567 8.81999 11.2327 5.18334 7.67189 12.3466 numMergedOcc 0
37 mol 294 unq 1 iso 1 dist 9.83567 5.18334 7.67189 8.81999 11.2327 12.3466 numMergedOcc 0
38 mol 294 unq 1 iso 0 dist 9.83567 4.83062 8.67831 5.18334 7.67189 4.59062 numMergedOcc 0
39 mol 294 unq 1 iso 1 dist 9.83567 5.18334 7.67189 4.83062 8.67831 4.59062 numMergedOcc 0
40 mol 294 unq 2 iso 0 dist 9.49433 8.81999 3.68964 4.83062 11.1096 11.8335 numMergedOcc 0
41 mol 294 unq 2 iso 1 dist 9.49433 4.83062 11.1096 8.81999 3.68964 11.8335 numMergedOcc 0
42 mol 294 unq 3 iso 0 dist 9.49433 8.81999 3.68964 5.18334 11.7731 12.3466 numMergedOcc 0
43 mol 294 unq 3 iso 1 dist 9.49433 5.18334 11.7731 8.81999 3.68964 12.3466 numMergedOcc 0
44 mol 294 unq 3 iso 0 dist 9.49433 4.83062 11.1096 5.18334 11.7731 4.59062 numMergedOcc 0
45 mol 294 unq 3 iso 1 dist 9.49433 5.18334 11.7731 4.83062 11.1096 4.59062 numMergedOcc 0
