0 mol 17 unq 0 iso 0 dist 8.58468 9.83791 13.7814 7.18716 11.7258 12.3727 numMergedOcc 0
1 mol 17 unq 0 iso 1 dist 9.83791 8.58468 13.7814 7.18716 12.3727 11.7258 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 8.58468 7.95007 11.1609 7.18716 11.7258 13.7445 numMergedOcc 0
3 mol 17 unq 1 iso 1 dist 7.95007 8.58468 11.1609 7.18716 13.7445 11.7258 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 9.83791 7.95007 6.24514 7.18716 12.3727 13.7445 numMergedOcc 0
5 mol 17 unq 1 iso 1 dist 7.95007 9.83791 6.24514 7.18716 13.7445 12.3727 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.37034 6.60091 9.06957 8.15861 4.8069 10.0178 numMergedOcc 0
7 mol 85 unq 0 iso 1 dist 6.60091 9.37034 9.06957 8.15861 10.0178 4.8069 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 9.37034 6.60091 9.06957 9.27814 17.0484 14.189 numMergedOcc 0
9 mol 85 unq 1 iso 1 dist 6.60091 9.37034 9.06957 9.27814 14.189 17.0484 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 5.58346 7.09179 4.48374 6.98134 8.89777 12.5145 numMergedOcc 0
11 mol 116 unq 0 iso 1 dist 7.09179 5.58346 4.48374 6.98134 12.5145 8.89777 numMergedOcc 0
12 mol 116 unq 1 iso 0 dist 6.24768 9.31875 4.48374 7.65919 4.82514 8.63935 numMergedOcc 0
13 mol 116 unq 1 iso 1 dist 9.31875 6.24768 4.48374 7.65919 8.63935 4.82514 numMergedOcc 0
14 mol 116 unq 2 iso 0 dist 6.24768 9.31875 4.48374 8.55413 8.89777 12.5145 numMergedOcc 0
15 mol 116 unq 2 iso 1 dist 9.31875 6.24768 4.48374 8.55413 12.5145 8.89777 numMergedOcc 0
16 mol 157 unq 0 iso 0 dist 6.97303 9.46764 10.9215 8.97914 5.07066 7.444 numMergedOcc 0
17 mol 157 unq 0 iso 1 dist 9.46764 6.97303 10.9215 8.97914 7.444 5.07066 numMergedOcc 0
18 mol 255 unq 0 iso 0 dist 6.94032 5.53395 9.12886 8.66655 4.9727 10.1167 numMergedOcc 0
19 mol 255 unq 0 iso 1 dist 5.53395 6.94032 9.12886 8.66655 10.1167 4.9727 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 8.65743 8.02607 5.6921 5.28746 4.39553 3.94797 numMergedOcc 0
21 mol 266 unq 0 iso 1 dist 8.02607 8.65743 5.6921 5.28746 3.94797 4.39553 numMergedOcc 0
22 mol 266 unq 1 iso 0 dist 9.87436 7.27283 11.0913 9.2684 13.2589 3.90822 numMergedOcc 0
23 mol 266 unq 1 iso 1 dist 7.27283 9.87436 11.0913 9.2684 3.90822 13.2589 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 9.02002 8.08235 4.86701 9.89615 3.80043 4.0143 numMergedOcc 0
25 mol 274 unq 0 iso 1 dist 8.08235 9.02002 4.86701 9.89615 4.0143 3.80043 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 8.95153 7.1255 5.85211 5.77565 4.66969 4.0143 numMergedOcc 0
27 mol 274 unq 1 iso 1 dist 7.1255 8.95153 5.85211 5.77565 4.0143 4.66969 numMergedOcc 0
28 mol 274 unq 2 iso 0 dist 8.95153 7.1255 5.85211 6.32853 5.69247 3.88948 numMergedOcc 0
29 mol 274 unq 2 iso 1 dist 7.1255 8.95153 5.85211 6.32853 3.88948 5.69247 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 4.75392 8.61667 5.04495 8.15636 5.15725 7.46917 numMergedOcc 0
31 mol 287 unq 0 iso 1 dist 8.61667 4.75392 5.04495 8.15636 7.46917 5.15725 numMergedOcc 0
32 mol 287 unq 1 iso 0 dist 4.75392 8.61667 5.04495 7.86292 7.67235 7.99757 numMergedOcc 0
33 mol 287 unq 1 iso 1 dist 8.61667 4.75392 5.04495 7.86292 7.99757 7.67235 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 4.75392 8.61667 5.04495 8.15636 5.15725 7.46917 numMergedOcc 0
35 mol 288 unq 0 iso 1 dist 8.61667 4.75392 5.04495 8.15636 7.46917 5.15725 numMergedOcc 0
36 mol 288 unq 1 iso 0 dist 4.75392 8.61667 5.04495 7.86292 7.67235 7.99757 numMergedOcc 0
37 mol 288 unq 1 iso 1 dist 8.61667 4.75392 5.04495 7.86292 7.99757 7.67235 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 4.75392 8.61667 5.04495 8.15636 5.15725 7.46917 numMergedOcc 0
39 mol 289 unq 0 iso 1 dist 8.61667 4.75392 5.04495 8.15636 7.46917 5.15725 numMergedOcc 0
40 mol 289 unq 1 iso 0 dist 4.75392 8.61667 5.04495 7.86292 7.67235 7.99757 numMergedOcc 0
41 mol 289 unq 1 iso 1 dist 8.61667 4.75392 5.04495 7.86292 7.99757 7.67235 numMergedOcc 0
42 mol 294 unq 0 iso 0 dist 9.83567 9.49433 8.57277 8.81999 11.2327 3.68964 numMergedOcc 0
43 mol 294 unq 0 iso 1 dist 9.49433 9.83567 8.57277 8.81999 3.68964 11.2327 numMergedOcc 0
44 mol 294 unq 1 iso 0 dist 9.83567 9.49433 8.57277 4.83062 8.67831 11.1096 numMergedOcc 0
45 mol 294 unq 1 iso 1 dist 9.49433 9.83567 8.57277 4.83062 11.1096 8.67831 numMergedOcc 0
46 mol 294 unq 2 iso 0 dist 9.83567 9.49433 8.57277 5.18334 7.67189 11.7731 numMergedOcc 0
47 mol 294 unq 2 iso 1 dist 9.49433 9.83567 8.57277 5.18334 11.7731 7.67189 numMergedOcc 0
