0 mol 21 unq 0 iso 0 dist 9.76497 9.83589 7.04837 8.7443 3.36756 5.70796 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 9.37034 6.24296 7.74857 8.15861 4.8069 3.65186 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 9.37034 6.24296 7.74857 9.27814 17.0484 14.6387 numMergedOcc 0
3 mol 85 unq 2 iso 0 dist 9.37034 6.83218 10.4876 8.15861 4.8069 7.00044 numMergedOcc 0
4 mol 85 unq 3 iso 0 dist 9.37034 6.83218 10.4876 9.27814 17.0484 15.2529 numMergedOcc 0
5 mol 85 unq 4 iso 0 dist 6.60091 6.24296 9.36582 8.15861 10.0178 3.65186 numMergedOcc 0
6 mol 85 unq 5 iso 0 dist 6.60091 6.24296 9.36582 9.27814 14.189 14.6387 numMergedOcc 0
7 mol 85 unq 6 iso 0 dist 6.60091 6.83218 8.8983 8.15861 10.0178 7.00044 numMergedOcc 0
8 mol 85 unq 7 iso 0 dist 6.60091 6.83218 8.8983 9.27814 14.189 15.2529 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 9.11115 8.0675 10.6733 9.98215 8.58501 15.2673 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 5.58346 5.93365 5.77115 6.98134 8.89777 3.43966 numMergedOcc 0
11 mol 116 unq 1 iso 0 dist 7.09179 5.93365 9.75449 6.98134 12.5145 3.43966 numMergedOcc 0
12 mol 116 unq 2 iso 0 dist 6.24768 6.99944 5.77115 7.65919 4.82514 6.48852 numMergedOcc 0
13 mol 116 unq 3 iso 0 dist 6.24768 6.99944 5.77115 8.55413 8.89777 3.43966 numMergedOcc 0
14 mol 116 unq 4 iso 0 dist 9.31875 6.99944 9.75449 7.65919 8.63935 6.48852 numMergedOcc 0
15 mol 116 unq 5 iso 0 dist 9.31875 6.99944 9.75449 8.55413 12.5145 3.43966 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 9.89646 8.73613 5.84771 8.94352 10.0388 8.67676 numMergedOcc 0
17 mol 157 unq 0 iso 0 dist 6.97303 8.51753 7.68025 8.97914 5.07066 4.69348 numMergedOcc 0
18 mol 157 unq 1 iso 0 dist 9.46764 8.51753 5.43167 8.97914 7.444 4.69348 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 9.19442 6.58055 11.1207 7.45508 11.6389 3.13463 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 9.19442 6.58055 11.1207 5.79883 10.1445 11.0087 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 8.57375 8.106 5.55396 7.17276 7.97597 3.12129 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 4.75392 9.98518 14.5058 8.15636 5.15725 16.9188 numMergedOcc 0
23 mol 287 unq 1 iso 0 dist 4.75392 9.98518 14.5058 7.86292 7.67235 12.935 numMergedOcc 0
24 mol 287 unq 2 iso 0 dist 8.61667 9.98518 16.8571 8.15636 7.46917 16.9188 numMergedOcc 0
25 mol 287 unq 3 iso 0 dist 8.61667 9.98518 16.8571 7.86292 7.99757 12.935 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 4.75392 9.98518 14.5058 8.15636 5.15725 16.9188 numMergedOcc 0
27 mol 288 unq 1 iso 0 dist 4.75392 9.98518 14.5058 7.86292 7.67235 12.935 numMergedOcc 0
28 mol 288 unq 2 iso 0 dist 8.61667 9.98518 16.8571 8.15636 7.46917 16.9188 numMergedOcc 0
29 mol 288 unq 3 iso 0 dist 8.61667 9.98518 16.8571 7.86292 7.99757 12.935 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 4.75392 9.98518 14.5058 8.15636 5.15725 16.9188 numMergedOcc 0
31 mol 289 unq 1 iso 0 dist 4.75392 9.98518 14.5058 7.86292 7.67235 12.935 numMergedOcc 0
32 mol 289 unq 2 iso 0 dist 8.61667 9.98518 16.8571 8.15636 7.46917 16.9188 numMergedOcc 0
33 mol 289 unq 3 iso 0 dist 8.61667 9.98518 16.8571 7.86292 7.99757 12.935 numMergedOcc 0
34 mol 294 unq 0 iso 0 dist 9.83567 8.26112 3.21048 8.81999 11.2327 8.14029 numMergedOcc 0
35 mol 294 unq 1 iso 0 dist 9.83567 8.26112 3.21048 4.83062 8.67831 8.10518 numMergedOcc 0
36 mol 294 unq 2 iso 0 dist 9.83567 8.26112 3.21048 5.18334 7.67189 7.97558 numMergedOcc 0
37 mol 294 unq 3 iso 0 dist 9.49433 8.26112 5.45881 8.81999 3.68964 8.14029 numMergedOcc 0
38 mol 294 unq 4 iso 0 dist 9.49433 8.26112 5.45881 4.83062 11.1096 8.10518 numMergedOcc 0
39 mol 294 unq 5 iso 0 dist 9.49433 8.26112 5.45881 5.18334 11.7731 7.97558 numMergedOcc 0
