0 mol 12 unq 0 iso 0 dist 8.18296 4.40652 5.76024 10.6393 5.4274 6.96422 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 7.99569 4.40652 7.92714 10.6393 8.06296 6.96422 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.88546 12.7322 6.03257 10.7022 6.19131 6.50647 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.8073 13.8841 8.29857 10.5289 8.13678 7.34031 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.42242 13.5334 8.19993 10.3498 8.24402 7.281 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 7.92221 11.1384 8.38606 13.348 6.10081 7.35992 numMergedOcc 0
6 mol 116 unq 1 iso 0 dist 7.92221 11.1384 8.38606 9.66069 4.94926 6.49383 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 7.80938 5.21856 7.48321 9.11128 3.98036 7.75012 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.36723 5.65957 8.42748 10.3479 9.01682 6.87262 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 6.03403 5.80215 5.94379 9.66229 5.42554 6.32777 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 8.09776 4.44921 6.38324 11.5995 4.26755 8.52969 numMergedOcc 0
11 mol 194 unq 1 iso 0 dist 5.4455 4.44921 6.1886 11.5995 11.8663 8.52969 numMergedOcc 0
12 mol 194 unq 2 iso 0 dist 6.57575 8.8996 6.38324 10.68 4.26755 8.52969 numMergedOcc 0
13 mol 194 unq 3 iso 0 dist 9.30761 8.70006 6.38324 10.0242 4.26755 8.52969 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 8.27761 8.33098 9.78181 14.1683 10.9886 7.10413 numMergedOcc 0
15 mol 232 unq 1 iso 0 dist 9.25162 15.3266 9.8664 18.9536 16.1253 7.17337 numMergedOcc 0
16 mol 271 unq 0 iso 0 dist 5.75889 6.38496 5.92274 9.35549 4.51983 5.81266 numMergedOcc 0
17 mol 271 unq 1 iso 0 dist 7.03848 9.47905 5.92274 11.0335 4.51983 5.81266 numMergedOcc 0
