0 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 8.27962 6.85412 9.29529 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 8.57077 6.85412 8.27962 5.60154 8.47421 9.29529 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.57077 8.47421 5.60154 11.4878 6.33889 7.2199 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 8.57077 6.33889 11.4878 5.60154 8.47421 7.2199 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 6.82505 9.78051 5.55659 5.51916 7.12903 8.96967 numMergedOcc 0
5 mol 15 unq 0 iso 1 dist 6.82505 7.12903 5.51916 5.55659 9.78051 8.96967 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 7.58835 6.34173 5.67689 6.89191 9.20119 8.59109 numMergedOcc 0
7 mol 45 unq 0 iso 1 dist 7.58835 9.20119 6.89191 5.67689 6.34173 8.59109 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 7.32874 8.26899 4.55117 6.75888 6.40841 8.80108 numMergedOcc 0
9 mol 58 unq 0 iso 1 dist 7.32874 6.40841 6.75888 4.55117 8.26899 8.80108 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 6.86465 9.58673 5.92889 6.47744 8.63333 7.01363 numMergedOcc 0
11 mol 58 unq 1 iso 1 dist 6.86465 8.63333 6.47744 5.92889 9.58673 7.01363 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 6.35756 9.58673 7.05413 6.47744 8.89374 7.01363 numMergedOcc 0
13 mol 58 unq 2 iso 1 dist 6.35756 8.89374 6.47744 7.05413 9.58673 7.01363 numMergedOcc 0
14 mol 58 unq 3 iso 0 dist 9.55426 8.26899 10.3782 6.75888 6.31428 8.80108 numMergedOcc 0
15 mol 58 unq 3 iso 1 dist 9.55426 6.31428 6.75888 10.3782 8.26899 8.80108 numMergedOcc 0
16 mol 59 unq 0 iso 0 dist 7.71095 8.24062 5.3525 5.33688 6.71911 6.5096 numMergedOcc 0
17 mol 59 unq 0 iso 1 dist 7.71095 6.71911 5.33688 5.3525 8.24062 6.5096 numMergedOcc 0
18 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 9.0131 7.321 9.19459 numMergedOcc 0
19 mol 72 unq 0 iso 1 dist 9.96708 7.321 9.0131 7.11552 6.77912 9.19459 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 7.35754 8.68821 5.33327 4.77056 7.52743 7.36816 numMergedOcc 0
21 mol 114 unq 0 iso 1 dist 7.35754 7.52743 4.77056 5.33327 8.68821 7.36816 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 9.33865 7.64585 10.2377 10.7942 7.76729 6.40036 numMergedOcc 0
23 mol 115 unq 0 iso 1 dist 9.33865 7.76729 10.7942 10.2377 7.64585 6.40036 numMergedOcc 0
24 mol 127 unq 0 iso 0 dist 9.30299 8.59981 14.085 4.77464 9.81878 6.3244 numMergedOcc 0
25 mol 127 unq 0 iso 1 dist 9.30299 9.81878 4.77464 14.085 8.59981 6.3244 numMergedOcc 0
26 mol 155 unq 0 iso 0 dist 6.23493 9.17284 4.9093 6.3845 7.16254 6.51096 numMergedOcc 0
27 mol 155 unq 0 iso 1 dist 6.23493 7.16254 6.3845 4.9093 9.17284 6.51096 numMergedOcc 0
28 mol 155 unq 1 iso 0 dist 7.46303 9.17284 6.3437 6.3845 9.14392 6.51096 numMergedOcc 0
29 mol 155 unq 1 iso 1 dist 7.46303 9.14392 6.3845 6.3437 9.17284 6.51096 numMergedOcc 0
30 mol 155 unq 2 iso 0 dist 6.43582 7.36102 8.27726 6.34186 7.51198 7.37901 numMergedOcc 0
31 mol 155 unq 2 iso 1 dist 6.43582 7.51198 6.34186 8.27726 7.36102 7.37901 numMergedOcc 0
32 mol 156 unq 0 iso 0 dist 7.44554 6.27641 7.29758 6.29785 9.36805 6.90155 numMergedOcc 0
33 mol 156 unq 0 iso 1 dist 7.44554 9.36805 6.29785 7.29758 6.27641 6.90155 numMergedOcc 0
34 mol 156 unq 1 iso 0 dist 9.83699 6.27641 4.53931 6.29785 7.55203 6.90155 numMergedOcc 0
35 mol 156 unq 1 iso 1 dist 9.83699 7.55203 6.29785 4.53931 6.27641 6.90155 numMergedOcc 0
36 mol 175 unq 0 iso 0 dist 9.0018 9.8589 8.22779 11.0415 9.31887 4.79852 numMergedOcc 0
37 mol 175 unq 0 iso 1 dist 9.0018 9.31887 11.0415 8.22779 9.8589 4.79852 numMergedOcc 0
38 mol 175 unq 1 iso 0 dist 7.652 7.24908 8.22779 5.0384 9.31887 4.79852 numMergedOcc 0
39 mol 175 unq 1 iso 1 dist 7.652 9.31887 5.0384 8.22779 7.24908 4.79852 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 9.15386 6.94688 6.80228 8.25067 9.6668 8.20656 numMergedOcc 0
41 mol 181 unq 0 iso 1 dist 9.15386 9.6668 8.25067 6.80228 6.94688 8.20656 numMergedOcc 0
42 mol 181 unq 1 iso 0 dist 9.15386 6.71012 11.6919 8.25067 9.6668 9.40622 numMergedOcc 0
43 mol 181 unq 1 iso 1 dist 9.15386 9.6668 8.25067 11.6919 6.71012 9.40622 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 8.95269 6.87664 7.98696 9.36098 7.06793 8.89778 numMergedOcc 0
45 mol 224 unq 0 iso 1 dist 8.95269 7.06793 9.36098 7.98696 6.87664 8.89778 numMergedOcc 0
46 mol 224 unq 1 iso 0 dist 8.95269 6.87664 7.98696 5.29877 6.67585 9.47554 numMergedOcc 0
47 mol 224 unq 1 iso 1 dist 8.95269 6.67585 5.29877 7.98696 6.87664 9.47554 numMergedOcc 0
48 mol 224 unq 2 iso 0 dist 6.57273 6.87664 7.12232 5.29877 6.65984 9.47554 numMergedOcc 0
49 mol 224 unq 2 iso 1 dist 6.57273 6.65984 5.29877 7.12232 6.87664 9.47554 numMergedOcc 0
50 mol 239 unq 0 iso 0 dist 7.00034 7.20082 7.04058 6.26168 7.39747 6.34801 numMergedOcc 0
51 mol 239 unq 0 iso 1 dist 7.00034 7.39747 6.26168 7.04058 7.20082 6.34801 numMergedOcc 0
