0 mol 46 unq 0 iso 0 dist 8.99393 9.79109 9.45756 6.95897 3.77542 9.26597 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 8.99393 9.79109 9.45756 12.41 9.97314 4.60014 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 6.50622 5.58109 9.85512 6.75646 8.42738 3.46486 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 4.45433 5.58109 8.97888 5.80317 8.61143 9.6123 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 4.45433 5.58109 8.97888 6.75646 8.79979 3.46486 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.2753 6.38992 9.01812 4.24482 4.18248 5.76272 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.85622 11.8887 7.92856 8.09756 6.5816 13.6536 numMergedOcc 0
7 mol 107 unq 0 iso 0 dist 9.4238 5.13248 9.45682 17.9309 8.88124 17.9917 numMergedOcc 0
8 mol 107 unq 1 iso 0 dist 9.4238 5.13248 9.45682 8.0395 8.19484 11.8593 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 9.22398 5.28643 4.76974 8.51521 5.86379 3.98154 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 9.22398 5.28643 4.76974 11.3635 6.21029 6.61688 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 8.0237 8.892 8.51123 4.58282 6.55227 5.49724 numMergedOcc 0
12 mol 122 unq 0 iso 0 dist 8.08737 7.21898 4.42563 6.14269 8.565 6.34716 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 8.0933 7.35357 8.111 9.43573 5.56127 12.2105 numMergedOcc 0
14 mol 123 unq 1 iso 0 dist 8.0933 7.35357 8.111 9.39224 8.03692 12.5368 numMergedOcc 0
15 mol 123 unq 2 iso 0 dist 8.0933 7.35357 8.111 9.35902 5.36214 6.21159 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 8.92048 5.65454 8.39897 6.68581 3.82583 7.06219 numMergedOcc 0
17 mol 147 unq 1 iso 0 dist 8.92048 5.65454 8.39897 4.60169 5.19116 4.19634 numMergedOcc 0
18 mol 147 unq 2 iso 0 dist 8.92048 9.26637 9.03078 6.68581 3.82583 6.04074 numMergedOcc 0
19 mol 147 unq 3 iso 0 dist 8.92048 9.26637 9.03078 4.60169 5.19116 6.24579 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 7.26295 15.6354 9.52922 3.64489 5.10542 12.8006 numMergedOcc 0
21 mol 194 unq 1 iso 0 dist 7.31316 14.1448 9.38984 3.64489 4.68722 11.6641 numMergedOcc 0
22 mol 194 unq 2 iso 0 dist 7.31316 14.1448 9.38984 9.00349 5.18325 7.3365 numMergedOcc 0
23 mol 194 unq 3 iso 0 dist 7.31316 12.1716 9.91118 3.64489 4.68722 10.0534 numMergedOcc 0
24 mol 194 unq 4 iso 0 dist 7.31316 12.1716 9.91118 9.00349 5.18325 6.3514 numMergedOcc 0
25 mol 194 unq 5 iso 0 dist 8.9865 8.50813 9.38984 13.481 4.68722 11.6641 numMergedOcc 0
26 mol 194 unq 6 iso 0 dist 8.9865 8.50813 9.38984 11.1547 5.18325 7.3365 numMergedOcc 0
27 mol 194 unq 7 iso 0 dist 8.9865 12.6254 9.91118 13.481 4.68722 10.0534 numMergedOcc 0
28 mol 194 unq 8 iso 0 dist 8.9865 12.6254 9.91118 11.1547 5.18325 6.3514 numMergedOcc 0
29 mol 213 unq 0 iso 0 dist 8.64187 12.6417 8.82761 9.83742 9.71831 4.67313 numMergedOcc 0
30 mol 213 unq 1 iso 0 dist 8.64187 10.3241 4.66576 9.83742 9.71831 7.49785 numMergedOcc 0
31 mol 232 unq 0 iso 0 dist 4.76819 5.20266 8.60731 5.87373 9.64861 6.34934 numMergedOcc 0
32 mol 239 unq 0 iso 0 dist 7.99963 4.77446 4.43499 9.04752 6.09626 4.61469 numMergedOcc 0
33 mol 256 unq 0 iso 0 dist 8.3597 9.94789 4.80903 4.99652 5.58222 6.73995 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 7.29668 8.598 5.30118 10.326 4.68668 3.65199 numMergedOcc 0
35 mol 287 unq 1 iso 0 dist 7.29668 10.9452 8.98698 10.326 4.68668 5.70614 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 7.29668 8.598 5.30118 10.326 4.68668 3.65199 numMergedOcc 0
37 mol 288 unq 1 iso 0 dist 7.29668 10.9452 8.98698 10.326 4.68668 5.70614 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 7.29668 8.598 5.30118 10.326 4.68668 3.65199 numMergedOcc 0
39 mol 289 unq 1 iso 0 dist 7.29668 10.9452 8.98698 10.326 4.68668 5.70614 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 8.27039 5.81799 4.49592 3.77627 8.07775 7.22011 numMergedOcc 0
