0 mol 24 unq 0 iso 0 dist 8.70827 6.73939 15.0804 6.6219 4.04519 12.5545 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.73939 8.70827 15.0804 6.6219 12.5545 4.04519 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.70827 6.73939 15.0804 5.68215 13.7009 4.08755 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.73939 8.70827 15.0804 5.68215 4.08755 13.7009 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.60554 8.44664 14.1496 8.09311 15.4445 3.84336 numMergedOcc 0
5 mol 24 unq 2 iso 1 dist 8.44664 8.60554 14.1496 8.09311 3.84336 15.4445 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.60554 8.44664 14.1496 9.05357 11.8971 7.01276 numMergedOcc 0
7 mol 24 unq 3 iso 1 dist 8.44664 8.60554 14.1496 9.05357 7.01276 11.8971 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 8.60554 9.44691 9.62033 8.09311 15.4445 13.0295 numMergedOcc 0
9 mol 24 unq 4 iso 1 dist 9.44691 8.60554 9.62033 8.09311 13.0295 15.4445 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.60554 9.44691 9.62033 9.05357 11.8971 4.02219 numMergedOcc 0
11 mol 24 unq 5 iso 1 dist 9.44691 8.60554 9.62033 9.05357 4.02219 11.8971 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 8.44664 9.44691 10.4263 8.09311 3.84336 13.0295 numMergedOcc 0
13 mol 24 unq 4 iso 1 dist 9.44691 8.44664 10.4263 8.09311 13.0295 3.84336 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 8.44664 9.44691 10.4263 9.05357 7.01276 4.02219 numMergedOcc 0
15 mol 24 unq 5 iso 1 dist 9.44691 8.44664 10.4263 9.05357 4.02219 7.01276 numMergedOcc 0
16 mol 25 unq 0 iso 0 dist 6.16347 7.92503 12.7398 4.79873 5.46578 11.0175 numMergedOcc 0
17 mol 25 unq 0 iso 1 dist 7.92503 6.16347 12.7398 4.79873 11.0175 5.46578 numMergedOcc 0
18 mol 25 unq 1 iso 0 dist 6.16347 7.92503 12.7398 9.48085 9.62058 10.2758 numMergedOcc 0
19 mol 25 unq 1 iso 1 dist 7.92503 6.16347 12.7398 9.48085 10.2758 9.62058 numMergedOcc 0
20 mol 25 unq 2 iso 0 dist 7.45383 9.01548 12.6805 7.52933 11.0227 15.1255 numMergedOcc 0
21 mol 25 unq 2 iso 1 dist 9.01548 7.45383 12.6805 7.52933 15.1255 11.0227 numMergedOcc 0
22 mol 25 unq 3 iso 0 dist 7.45383 9.01548 12.6805 6.55597 4.98822 13.4321 numMergedOcc 0
23 mol 25 unq 3 iso 1 dist 9.01548 7.45383 12.6805 6.55597 13.4321 4.98822 numMergedOcc 0
24 mol 25 unq 4 iso 0 dist 7.45383 9.01548 12.6805 9.71956 10.3547 8.84447 numMergedOcc 0
25 mol 25 unq 4 iso 1 dist 9.01548 7.45383 12.6805 9.71956 8.84447 10.3547 numMergedOcc 0
26 mol 25 unq 5 iso 0 dist 7.45383 9.01548 12.6805 7.07751 7.91914 9.66912 numMergedOcc 0
27 mol 25 unq 5 iso 1 dist 9.01548 7.45383 12.6805 7.07751 9.66912 7.91914 numMergedOcc 0
28 mol 25 unq 6 iso 0 dist 7.45383 9.01548 12.6805 8.23761 11.7069 13.1117 numMergedOcc 0
29 mol 25 unq 6 iso 1 dist 9.01548 7.45383 12.6805 8.23761 13.1117 11.7069 numMergedOcc 0
30 mol 25 unq 7 iso 0 dist 7.45383 9.01548 12.6805 9.49421 9.62058 5.38592 numMergedOcc 0
31 mol 25 unq 7 iso 1 dist 9.01548 7.45383 12.6805 9.49421 5.38592 9.62058 numMergedOcc 0
32 mol 54 unq 0 iso 0 dist 7.07339 7.23317 4.69259 7.16132 7.06251 3.81228 numMergedOcc 0
33 mol 54 unq 0 iso 1 dist 7.23317 7.07339 4.69259 7.16132 3.81228 7.06251 numMergedOcc 0
34 mol 68 unq 0 iso 0 dist 7.26024 6.36086 6.00618 6.17207 3.85627 7.15683 numMergedOcc 0
35 mol 68 unq 0 iso 1 dist 6.36086 7.26024 6.00618 6.17207 7.15683 3.85627 numMergedOcc 0
36 mol 108 unq 0 iso 0 dist 9.01852 9.75958 8.93829 7.93045 10.2851 4.05553 numMergedOcc 0
37 mol 108 unq 0 iso 1 dist 9.75958 9.01852 8.93829 7.93045 4.05553 10.2851 numMergedOcc 0
38 mol 113 unq 0 iso 0 dist 8.8822 9.66219 4.09459 8.80934 7.1951 3.84573 numMergedOcc 0
39 mol 113 unq 0 iso 1 dist 9.66219 8.8822 4.09459 8.80934 3.84573 7.1951 numMergedOcc 0
40 mol 119 unq 0 iso 0 dist 6.52773 9.23858 12.3703 7.64052 5.37917 15.7711 numMergedOcc 0
41 mol 119 unq 0 iso 1 dist 9.23858 6.52773 12.3703 7.64052 15.7711 5.37917 numMergedOcc 0
42 mol 122 unq 0 iso 0 dist 8.88537 9.23819 5.03547 6.00603 6.29388 9.83972 numMergedOcc 0
43 mol 122 unq 0 iso 1 dist 9.23819 8.88537 5.03547 6.00603 9.83972 6.29388 numMergedOcc 0
44 mol 129 unq 0 iso 0 dist 9.36851 4.97175 5.41583 5.58833 9.30433 4.28744 numMergedOcc 0
45 mol 129 unq 0 iso 1 dist 4.97175 9.36851 5.41583 5.58833 4.28744 9.30433 numMergedOcc 0
46 mol 130 unq 0 iso 0 dist 7.90048 9.99802 12.2217 9.98797 6.39648 10.3272 numMergedOcc 0
47 mol 130 unq 0 iso 1 dist 9.99802 7.90048 12.2217 9.98797 10.3272 6.39648 numMergedOcc 0
48 mol 143 unq 0 iso 0 dist 7.78652 8.91301 4.30566 7.36975 12.207 14.7271 numMergedOcc 0
49 mol 143 unq 0 iso 1 dist 8.91301 7.78652 4.30566 7.36975 14.7271 12.207 numMergedOcc 0
50 mol 143 unq 1 iso 0 dist 7.78652 8.91301 4.30566 5.40637 10.0079 9.05366 numMergedOcc 0
51 mol 143 unq 1 iso 1 dist 8.91301 7.78652 4.30566 5.40637 9.05366 10.0079 numMergedOcc 0
52 mol 159 unq 0 iso 0 dist 9.17787 8.4858 7.73341 9.36259 7.91903 9.65034 numMergedOcc 0
53 mol 159 unq 0 iso 1 dist 8.4858 9.17787 7.73341 9.36259 9.65034 7.91903 numMergedOcc 0
54 mol 195 unq 0 iso 0 dist 7.36683 6.95086 9.90317 7.41662 8.90504 5.60628 numMergedOcc 0
55 mol 195 unq 0 iso 1 dist 6.95086 7.36683 9.90317 7.41662 5.60628 8.90504 numMergedOcc 0
56 mol 213 unq 0 iso 0 dist 7.37798 7.73322 13.2902 8.21793 8.75651 8.99471 numMergedOcc 0
57 mol 213 unq 0 iso 1 dist 7.73322 7.37798 13.2902 8.21793 8.99471 8.75651 numMergedOcc 0
58 mol 243 unq 0 iso 0 dist 8.76935 8.47652 4.52689 7.10671 3.85188 6.25256 numMergedOcc 0
59 mol 243 unq 0 iso 1 dist 8.47652 8.76935 4.52689 7.10671 6.25256 3.85188 numMergedOcc 0
60 mol 243 unq 1 iso 0 dist 8.76935 8.47652 4.52689 8.67156 4.21383 6.94795 numMergedOcc 0
61 mol 243 unq 1 iso 1 dist 8.47652 8.76935 4.52689 8.67156 6.94795 4.21383 numMergedOcc 0
