0 mol 79 unq 0 iso 0 dist 6.07578 5.21981 8.04168 8.12985 5.70907 9.61175 numMergedOcc 0
1 mol 79 unq 0 iso 1 dist 6.07578 8.12985 5.70907 5.21981 8.04168 9.61175 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 7.15197 11.0726 8.48088 11.4151 7.27506 6.12906 numMergedOcc 0
3 mol 95 unq 0 iso 1 dist 7.15197 11.4151 7.27506 11.0726 8.48088 6.12906 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.84146 15.9454 9.6121 17.7274 9.57341 12.7135 numMergedOcc 0
5 mol 119 unq 0 iso 1 dist 8.84146 17.7274 9.57341 15.9454 9.6121 12.7135 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 6.93136 9.88555 7.16698 12.1494 8.68663 9.42812 numMergedOcc 0
7 mol 143 unq 0 iso 1 dist 6.93136 12.1494 8.68663 9.88555 7.16698 9.42812 numMergedOcc 0
8 mol 194 unq 0 iso 0 dist 8.63008 5.39223 5.53324 11.8568 6.72182 9.10229 numMergedOcc 0
9 mol 194 unq 0 iso 1 dist 8.63008 11.8568 6.72182 5.39223 5.53324 9.10229 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 5.46768 4.79025 6.34234 6.01032 7.87972 10.558 numMergedOcc 0
11 mol 195 unq 0 iso 1 dist 5.46768 6.01032 7.87972 4.79025 6.34234 10.558 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 9.04499 12.9462 7.97027 11.0561 6.81955 11.4035 numMergedOcc 0
13 mol 222 unq 0 iso 1 dist 9.04499 11.0561 6.81955 12.9462 7.97027 11.4035 numMergedOcc 0
14 mol 222 unq 1 iso 0 dist 9.04499 12.9462 7.97027 9.50604 4.9876 8.10209 numMergedOcc 0
15 mol 222 unq 1 iso 1 dist 9.04499 9.50604 4.9876 12.9462 7.97027 8.10209 numMergedOcc 0
16 mol 222 unq 1 iso 0 dist 9.04499 11.0561 6.81955 9.50604 4.9876 3.52491 numMergedOcc 0
17 mol 222 unq 1 iso 1 dist 9.04499 9.50604 4.9876 11.0561 6.81955 3.52491 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 9.3376 11.8662 6.42694 6.73326 7.63917 6.12355 numMergedOcc 0
19 mol 229 unq 0 iso 1 dist 9.3376 6.73326 7.63917 11.8662 6.42694 6.12355 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 8.54084 4.35925 9.65775 13.8859 9.50634 17.1683 numMergedOcc 0
21 mol 260 unq 0 iso 1 dist 8.54084 13.8859 9.50634 4.35925 9.65775 17.1683 numMergedOcc 0
22 mol 278 unq 0 iso 0 dist 8.04138 13.9445 8.63072 13.0506 7.59696 5.75667 numMergedOcc 0
23 mol 278 unq 0 iso 1 dist 8.04138 13.0506 7.59696 13.9445 8.63072 5.75667 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 8.84798 14.4305 5.8304 6.08238 7.37478 11.3734 numMergedOcc 0
25 mol 279 unq 0 iso 1 dist 8.84798 6.08238 7.37478 14.4305 5.8304 11.3734 numMergedOcc 0
26 mol 284 unq 0 iso 0 dist 5.68818 14.1802 9.07503 11.9492 7.63256 4.7381 numMergedOcc 0
27 mol 284 unq 0 iso 1 dist 5.68818 11.9492 7.63256 14.1802 9.07503 4.7381 numMergedOcc 0
