0 mol 28 unq 0 iso 0 dist 8.79638 5.61871 8.53424 7.3517 7.08766 3.70336 numMergedOcc 0
1 mol 28 unq 0 iso 1 dist 8.79638 7.3517 7.08766 5.61871 8.53424 3.70336 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 8.79638 5.61871 8.53424 6.13016 4.82199 5.1533 numMergedOcc 0
3 mol 28 unq 1 iso 1 dist 8.79638 6.13016 4.82199 5.61871 8.53424 5.1533 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 8.79638 7.3517 7.08766 6.13016 4.82199 3.0988 numMergedOcc 0
5 mol 28 unq 1 iso 1 dist 8.79638 6.13016 4.82199 7.3517 7.08766 3.0988 numMergedOcc 0
6 mol 28 unq 2 iso 0 dist 6.42785 9.02992 8.53424 6.51048 7.08766 3.70336 numMergedOcc 0
7 mol 28 unq 2 iso 1 dist 6.42785 6.51048 7.08766 9.02992 8.53424 3.70336 numMergedOcc 0
8 mol 28 unq 3 iso 0 dist 6.42785 9.02992 8.53424 4.18951 4.82199 5.1533 numMergedOcc 0
9 mol 28 unq 3 iso 1 dist 6.42785 4.18951 4.82199 9.02992 8.53424 5.1533 numMergedOcc 0
10 mol 28 unq 3 iso 0 dist 6.42785 6.51048 7.08766 4.18951 4.82199 3.0988 numMergedOcc 0
11 mol 28 unq 3 iso 1 dist 6.42785 4.18951 4.82199 6.51048 7.08766 3.0988 numMergedOcc 0
12 mol 28 unq 4 iso 0 dist 5.75809 13.5265 8.53424 12.1819 7.08766 3.70336 numMergedOcc 0
13 mol 28 unq 4 iso 1 dist 5.75809 12.1819 7.08766 13.5265 8.53424 3.70336 numMergedOcc 0
14 mol 28 unq 5 iso 0 dist 5.75809 13.5265 8.53424 9.28235 4.82199 5.1533 numMergedOcc 0
15 mol 28 unq 5 iso 1 dist 5.75809 9.28235 4.82199 13.5265 8.53424 5.1533 numMergedOcc 0
16 mol 28 unq 5 iso 0 dist 5.75809 12.1819 7.08766 9.28235 4.82199 3.0988 numMergedOcc 0
17 mol 28 unq 5 iso 1 dist 5.75809 9.28235 4.82199 12.1819 7.08766 3.0988 numMergedOcc 0
18 mol 46 unq 0 iso 0 dist 8.99393 6.95897 3.77542 12.41 9.97314 9.4824 numMergedOcc 0
19 mol 46 unq 0 iso 1 dist 8.99393 12.41 9.97314 6.95897 3.77542 9.4824 numMergedOcc 0
20 mol 78 unq 0 iso 0 dist 4.45433 5.80317 8.61143 6.75646 8.79979 11.9667 numMergedOcc 0
21 mol 78 unq 0 iso 1 dist 4.45433 6.75646 8.79979 5.80317 8.61143 11.9667 numMergedOcc 0
22 mol 79 unq 0 iso 0 dist 7.60619 4.91617 4.15789 8.05938 4.808 5.30569 numMergedOcc 0
23 mol 79 unq 0 iso 1 dist 7.60619 8.05938 4.808 4.91617 4.15789 5.30569 numMergedOcc 0
24 mol 107 unq 0 iso 0 dist 9.4238 17.9309 8.88124 8.0395 8.19484 13.5807 numMergedOcc 0
25 mol 107 unq 0 iso 1 dist 9.4238 8.0395 8.19484 17.9309 8.88124 13.5807 numMergedOcc 0
26 mol 111 unq 0 iso 0 dist 8.69371 9.05868 4.91212 9.16288 9.34782 8.72808 numMergedOcc 0
27 mol 111 unq 0 iso 1 dist 8.69371 9.16288 9.34782 9.05868 4.91212 8.72808 numMergedOcc 0
28 mol 115 unq 0 iso 0 dist 9.22398 8.51521 5.86379 11.3635 6.21029 3.19822 numMergedOcc 0
29 mol 115 unq 0 iso 1 dist 9.22398 11.3635 6.21029 8.51521 5.86379 3.19822 numMergedOcc 0
30 mol 123 unq 0 iso 0 dist 8.0933 9.43573 5.56127 9.39224 8.03692 10.2185 numMergedOcc 0
31 mol 123 unq 0 iso 1 dist 8.0933 9.39224 8.03692 9.43573 5.56127 10.2185 numMergedOcc 0
32 mol 123 unq 1 iso 0 dist 8.0933 9.43573 5.56127 9.35902 5.36214 8.29136 numMergedOcc 0
33 mol 123 unq 1 iso 1 dist 8.0933 9.35902 5.36214 9.43573 5.56127 8.29136 numMergedOcc 0
34 mol 123 unq 1 iso 0 dist 8.0933 9.39224 8.03692 9.35902 5.36214 13.0033 numMergedOcc 0
35 mol 123 unq 1 iso 1 dist 8.0933 9.35902 5.36214 9.39224 8.03692 13.0033 numMergedOcc 0
36 mol 147 unq 0 iso 0 dist 8.92048 6.68581 3.82583 4.60169 5.19116 3.00464 numMergedOcc 0
37 mol 147 unq 0 iso 1 dist 8.92048 4.60169 5.19116 6.68581 3.82583 3.00464 numMergedOcc 0
38 mol 147 unq 1 iso 0 dist 8.84926 13.164 8.25768 11.3679 8.71702 3.00464 numMergedOcc 0
39 mol 147 unq 1 iso 1 dist 8.84926 11.3679 8.71702 13.164 8.25768 3.00464 numMergedOcc 0
40 mol 176 unq 0 iso 0 dist 9.95907 12.7022 8.65645 6.27598 6.85902 7.03525 numMergedOcc 0
41 mol 176 unq 0 iso 1 dist 9.95907 6.27598 6.85902 12.7022 8.65645 7.03525 numMergedOcc 0
42 mol 193 unq 0 iso 0 dist 6.10013 4.40965 8.30069 6.04442 8.83551 4.75086 numMergedOcc 0
43 mol 193 unq 0 iso 1 dist 6.10013 6.04442 8.83551 4.40965 8.30069 4.75086 numMergedOcc 0
44 mol 194 unq 0 iso 0 dist 7.31316 3.64489 4.68722 9.00349 5.18325 5.61057 numMergedOcc 0
45 mol 194 unq 0 iso 1 dist 7.31316 9.00349 5.18325 3.64489 4.68722 5.61057 numMergedOcc 0
46 mol 194 unq 1 iso 0 dist 8.9865 13.481 4.68722 11.1547 5.18325 5.61057 numMergedOcc 0
47 mol 194 unq 1 iso 1 dist 8.9865 11.1547 5.18325 13.481 4.68722 5.61057 numMergedOcc 0
48 mol 285 unq 0 iso 0 dist 8.38399 12.0007 5.88958 15.0759 7.78121 4.87372 numMergedOcc 0
49 mol 285 unq 0 iso 1 dist 8.38399 15.0759 7.78121 12.0007 5.88958 4.87372 numMergedOcc 0
