0 mol 48 unq 0 iso 0 dist 9.46554 7.37491 3.85506 7.84827 9.42099 9.05737 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 6.99001 9.77004 7.06935 6.38985 8.40186 9.05737 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 6.99001 8.36323 10.6648 6.38985 8.40186 14.5865 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 7.88172 9.78668 10.7828 11.7255 6.41008 16.5305 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 6.84747 4.86696 7.74121 7.1203 8.99536 11.3326 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 6.10897 9.60491 9.58222 4.22761 5.94317 11.3326 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 7.75436 4.86696 9.58222 7.1203 5.94317 11.3326 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 5.76109 7.37377 5.01255 4.98735 5.56839 5.20429 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 5.76109 9.15802 4.76749 4.98735 5.56839 10.3155 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 8.0955 7.37377 8.98901 4.98735 7.83506 5.20429 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 8.0955 9.15802 5.73248 4.98735 7.83506 10.3155 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 7.35385 9.80185 3.80763 4.20944 8.40695 10.3516 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 7.35385 9.80185 3.80763 6.685 9.35867 12.6128 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 8.35864 9.80185 9.98068 6.685 9.38036 12.6128 numMergedOcc 0
14 mol 141 unq 3 iso 0 dist 9.80549 7.43587 5.16197 4.45608 9.62774 5.60448 numMergedOcc 0
15 mol 193 unq 0 iso 0 dist 9.82224 6.63784 11.1328 3.41036 9.9042 8.30069 numMergedOcc 0
16 mol 193 unq 1 iso 0 dist 9.82224 9.00934 11.6691 3.41036 9.9042 8.83551 numMergedOcc 0
17 mol 193 unq 2 iso 0 dist 8.95886 6.63784 11.4882 3.41036 6.21262 8.30069 numMergedOcc 0
18 mol 193 unq 3 iso 0 dist 8.95886 9.00934 9.7301 3.41036 6.21262 8.83551 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 6.05667 5.32465 4.76454 10.4274 7.13824 9.29842 numMergedOcc 0
20 mol 237 unq 0 iso 0 dist 5.62039 5.12878 3.68966 6.41985 8.95332 10.5317 numMergedOcc 0
21 mol 253 unq 0 iso 0 dist 9.6479 9.137 5.68255 18.2165 9.82605 10.2265 numMergedOcc 0
22 mol 253 unq 1 iso 0 dist 9.6479 9.137 5.68255 15.9194 9.73723 8.66299 numMergedOcc 0
23 mol 253 unq 2 iso 0 dist 9.6479 8.0127 5.57952 18.2165 9.82605 12.3129 numMergedOcc 0
24 mol 253 unq 3 iso 0 dist 9.6479 8.0127 5.57952 15.9194 9.73723 11.5048 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 8.9316 9.78064 3.96271 13.9634 9.25759 12.9723 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 8.9316 9.78064 3.96271 13.9634 9.25759 12.9723 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 8.9316 9.78064 3.96271 13.9634 9.25759 12.9723 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 9.46421 7.83983 4.30125 12.0037 9.373 12.6751 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 9.7659 8.30521 5.90794 11.9773 9.01437 13.5554 numMergedOcc 0
