0 mol 34 unq 0 iso 0 dist 5.55479 9.36493 11.2499 9.0665 7.20258 7.94432 numMergedOcc 0
1 mol 34 unq 0 iso 1 dist 5.55479 9.0665 7.20258 9.36493 11.2499 7.94432 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 5.55479 9.36493 11.2499 7.07773 6.48477 13.9162 numMergedOcc 0
3 mol 34 unq 1 iso 1 dist 5.55479 7.07773 6.48477 9.36493 11.2499 13.9162 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 5.55479 9.0665 7.20258 7.07773 6.48477 9.25715 numMergedOcc 0
5 mol 34 unq 1 iso 1 dist 5.55479 7.07773 6.48477 9.0665 7.20258 9.25715 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 6.90069 6.50622 4.76861 4.45433 4.315 3.46822 numMergedOcc 0
7 mol 78 unq 0 iso 1 dist 6.90069 4.45433 4.315 6.50622 4.76861 3.46822 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 7.91109 9.50762 7.59102 7.57472 5.83839 12.1907 numMergedOcc 0
9 mol 141 unq 0 iso 1 dist 7.91109 7.57472 5.83839 9.50762 7.59102 12.1907 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 5.75808 9.50762 9.54746 7.57472 3.7404 12.1907 numMergedOcc 0
11 mol 141 unq 1 iso 1 dist 5.75808 7.57472 3.7404 9.50762 9.54746 12.1907 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 9.07247 9.511 8.73 7.72354 9.71065 3.67493 numMergedOcc 0
13 mol 184 unq 0 iso 1 dist 9.07247 7.72354 9.71065 9.511 8.73 3.67493 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 7.86997 9.08818 6.43304 7.93563 7.36003 11.7842 numMergedOcc 0
15 mol 186 unq 0 iso 1 dist 7.86997 7.93563 7.36003 9.08818 6.43304 11.7842 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 7.86997 9.08818 6.43304 5.70056 3.2635 7.59605 numMergedOcc 0
17 mol 186 unq 1 iso 1 dist 7.86997 5.70056 3.2635 9.08818 6.43304 7.59605 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 7.86997 7.93563 7.36003 5.70056 3.2635 4.62459 numMergedOcc 0
19 mol 186 unq 1 iso 1 dist 7.86997 5.70056 3.2635 7.93563 7.36003 4.62459 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 6.80944 9.08818 4.46688 7.93563 9.6068 11.7842 numMergedOcc 0
21 mol 186 unq 2 iso 1 dist 6.80944 7.93563 9.6068 9.08818 4.46688 11.7842 numMergedOcc 0
22 mol 186 unq 3 iso 0 dist 6.80944 9.08818 4.46688 5.70056 4.9849 7.59605 numMergedOcc 0
23 mol 186 unq 3 iso 1 dist 6.80944 5.70056 4.9849 9.08818 4.46688 7.59605 numMergedOcc 0
24 mol 186 unq 3 iso 0 dist 6.80944 7.93563 9.6068 5.70056 4.9849 4.62459 numMergedOcc 0
25 mol 186 unq 3 iso 1 dist 6.80944 5.70056 4.9849 7.93563 9.6068 4.62459 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 9.94612 5.04072 12.6421 8.67956 3.30455 10.2093 numMergedOcc 0
27 mol 220 unq 0 iso 1 dist 9.94612 8.67956 3.30455 5.04072 12.6421 10.2093 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 8.26244 6.97659 4.72162 8.1552 3.56848 6.29422 numMergedOcc 0
29 mol 222 unq 0 iso 1 dist 8.26244 8.1552 3.56848 6.97659 4.72162 6.29422 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 8.03092 7.14918 3.13463 9.29322 11.0087 12.7924 numMergedOcc 0
31 mol 239 unq 0 iso 1 dist 8.03092 9.29322 11.0087 7.14918 3.13463 12.7924 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 5.8804 6.92906 3.04079 5.57978 6.41309 8.91869 numMergedOcc 0
33 mol 258 unq 0 iso 1 dist 5.8804 5.57978 6.41309 6.92906 3.04079 8.91869 numMergedOcc 0
34 mol 276 unq 0 iso 0 dist 8.51449 9.33041 3.50268 8.7117 11.2014 9.04019 numMergedOcc 0
35 mol 276 unq 0 iso 1 dist 8.51449 8.7117 11.2014 9.33041 3.50268 9.04019 numMergedOcc 0
36 mol 279 unq 0 iso 0 dist 5.41277 5.76793 9.19808 7.72276 3.36713 9.77541 numMergedOcc 0
37 mol 279 unq 0 iso 1 dist 5.41277 7.72276 3.36713 5.76793 9.19808 9.77541 numMergedOcc 0
38 mol 283 unq 0 iso 0 dist 5.63358 6.69403 6.18318 5.76694 3.34167 2.9452 numMergedOcc 0
39 mol 283 unq 0 iso 1 dist 5.63358 5.76694 3.34167 6.69403 6.18318 2.9452 numMergedOcc 0
