0 mol 27 unq 0 iso 0 dist 6.32286 9.13877 9.77484 5.68829 8.11206 10.1814 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 9.87036 10.0829 8.68559 7.14308 7.18766 7.93694 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 9.87036 10.0829 8.68559 7.51632 7.48825 6.68431 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 8.73406 6.21339 7.06308 9.17072 8.59109 9.01651 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 8.73406 9.87298 6.34173 9.17072 8.59109 6.89191 numMergedOcc 0
5 mol 45 unq 2 iso 0 dist 8.73406 7.9967 9.43442 9.17072 8.59109 5.54436 numMergedOcc 0
6 mol 45 unq 3 iso 0 dist 8.9794 11.1992 6.99408 9.04286 8.13782 7.39653 numMergedOcc 0
7 mol 45 unq 4 iso 0 dist 8.9794 9.22095 9.3403 9.04286 8.13782 10.6095 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.19452 11.7837 6.73814 5.00744 9.86739 12.1324 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 9.19452 11.7837 6.73814 10.2419 8.39249 6.95201 numMergedOcc 0
10 mol 114 unq 2 iso 0 dist 9.19452 11.7837 6.73814 9.43725 8.93623 5.9968 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 5.85438 9.22146 8.94837 9.7195 6.4218 5.9915 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 5.85438 6.20897 7.77454 9.7195 6.4218 10.7186 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 6.28968 13.4376 8.19953 6.34233 4.55996 7.67202 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 9.48966 10.3216 5.50387 9.92003 8.75834 10.7506 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 9.48966 10.3216 5.50387 9.80108 9.36396 7.12954 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 8.93244 5.65451 7.50578 10.4043 8.76313 11.5772 numMergedOcc 0
17 mol 259 unq 1 iso 0 dist 8.93244 5.65451 7.50578 9.39256 7.4363 7.44916 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 7.45793 6.54153 7.67853 10.5239 6.75716 5.7074 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 9.14744 5.63104 6.50589 10.8834 8.49866 5.31116 numMergedOcc 0
