0 mol 16 unq 0 iso 0 dist 9.15471 8.59049 9.30655 5.61445 9.30471 11.0958 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 8.88969 7.98444 5.03467 8.50779 9.75265 8.95999 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.7939 8.16299 7.80518 10.3774 7.23812 8.70481 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 6.7939 8.16299 7.80518 10.539 5.36012 11.1436 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 6.85356 8.16299 11.6012 10.539 6.3777 11.1436 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 8.44695 8.27015 7.80518 12.6626 7.23812 8.70481 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 8.44695 8.27015 7.80518 7.03229 5.36012 11.1436 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 7.26325 6.23966 5.12351 6.65856 6.42706 5.83384 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 6.45169 9.33945 7.47571 6.92535 8.88233 11.4931 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 9.27341 9.60838 9.48798 9.50073 8.41774 13.7502 numMergedOcc 0
10 mol 172 unq 0 iso 0 dist 9.21942 7.34586 12.8236 9.90132 8.84981 16.8501 numMergedOcc 0
11 mol 172 unq 1 iso 0 dist 7.44084 7.34586 5.79462 5.78278 5.44495 9.22173 numMergedOcc 0
12 mol 172 unq 2 iso 0 dist 7.44084 7.34586 5.79462 10.5031 9.54742 13.8808 numMergedOcc 0
13 mol 172 unq 3 iso 0 dist 7.77643 7.34586 8.10512 5.78278 9.18538 9.22173 numMergedOcc 0
14 mol 172 unq 4 iso 0 dist 5.28889 9.54849 10.0276 5.25252 5.44495 14.0465 numMergedOcc 0
15 mol 172 unq 5 iso 0 dist 5.28889 9.54849 10.0276 9.10992 9.54742 17.772 numMergedOcc 0
16 mol 172 unq 6 iso 0 dist 5.28889 5.5139 5.79462 5.25252 5.44495 9.22173 numMergedOcc 0
17 mol 172 unq 7 iso 0 dist 5.28889 5.5139 5.79462 9.10992 9.54742 13.8808 numMergedOcc 0
18 mol 172 unq 8 iso 0 dist 4.90175 9.54849 10.6482 5.25252 9.18538 14.0465 numMergedOcc 0
19 mol 172 unq 9 iso 0 dist 4.90175 5.5139 8.10512 5.25252 9.18538 9.22173 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 7.99609 8.7419 4.81992 5.01062 7.73634 6.00706 numMergedOcc 0
21 mol 222 unq 1 iso 0 dist 7.99609 8.5834 9.69122 5.01062 7.73634 7.54212 numMergedOcc 0
22 mol 229 unq 0 iso 0 dist 6.86281 8.8557 11.8327 6.23084 8.68804 13.2905 numMergedOcc 0
23 mol 229 unq 1 iso 0 dist 6.86281 5.00457 6.36273 6.23084 8.68804 9.06952 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 7.75366 4.87108 10.3683 10.1036 4.80834 13.9263 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 7.75366 7.64276 10.313 10.1036 4.80834 14.6111 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 8.73425 8.21585 5.90131 5.13233 9.04358 6.42289 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 9.11322 8.30175 4.54436 12.4287 8.41236 11.9707 numMergedOcc 0
28 mol 276 unq 0 iso 0 dist 5.54217 9.64575 4.97852 6.02816 8.15803 10.033 numMergedOcc 0
29 mol 280 unq 0 iso 0 dist 6.38295 8.80588 8.26589 8.30978 5.41639 6.53701 numMergedOcc 0
30 mol 280 unq 1 iso 0 dist 6.38295 8.80588 8.26589 5.80223 7.96485 6.0664 numMergedOcc 0
