0 mol 26 unq 0 iso 0 dist 8.65828 8.36742 4.28862 8.10028 4.93643 6.92384 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 8.65828 8.10028 4.93643 8.36742 4.28862 6.92384 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 5.87633 8.42277 6.77926 8.46493 3.85555 4.35316 numMergedOcc 0
3 mol 28 unq 0 iso 1 dist 5.87633 8.46493 3.85555 8.42277 6.77926 4.35316 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 5.87633 8.42277 6.77926 9.70547 9.20102 4.96317 numMergedOcc 0
5 mol 28 unq 1 iso 1 dist 5.87633 9.70547 9.20102 8.42277 6.77926 4.96317 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 5.87633 8.46493 3.85555 9.70547 9.20102 7.30451 numMergedOcc 0
7 mol 28 unq 1 iso 1 dist 5.87633 9.70547 9.20102 8.46493 3.85555 7.30451 numMergedOcc 0
8 mol 28 unq 2 iso 0 dist 7.09381 8.42277 6.25611 8.46493 9.06695 4.35316 numMergedOcc 0
9 mol 28 unq 2 iso 1 dist 7.09381 8.46493 9.06695 8.42277 6.25611 4.35316 numMergedOcc 0
10 mol 28 unq 3 iso 0 dist 7.09381 8.42277 6.25611 9.70547 4.52079 4.96317 numMergedOcc 0
11 mol 28 unq 3 iso 1 dist 7.09381 9.70547 4.52079 8.42277 6.25611 4.96317 numMergedOcc 0
12 mol 28 unq 3 iso 0 dist 7.09381 8.46493 9.06695 9.70547 4.52079 7.30451 numMergedOcc 0
13 mol 28 unq 3 iso 1 dist 7.09381 9.70547 4.52079 8.46493 9.06695 7.30451 numMergedOcc 0
14 mol 34 unq 0 iso 0 dist 4.50643 9.36493 9.45561 9.0665 8.57695 7.94432 numMergedOcc 0
15 mol 34 unq 0 iso 1 dist 4.50643 9.0665 8.57695 9.36493 9.45561 7.94432 numMergedOcc 0
16 mol 34 unq 1 iso 0 dist 4.50643 9.36493 9.45561 7.07773 9.30664 13.9162 numMergedOcc 0
17 mol 34 unq 1 iso 1 dist 4.50643 7.07773 9.30664 9.36493 9.45561 13.9162 numMergedOcc 0
18 mol 34 unq 1 iso 0 dist 4.50643 9.0665 8.57695 7.07773 9.30664 9.25715 numMergedOcc 0
19 mol 34 unq 1 iso 1 dist 4.50643 7.07773 9.30664 9.0665 8.57695 9.25715 numMergedOcc 0
20 mol 83 unq 0 iso 0 dist 8.49115 9.98298 8.84888 7.55036 4.18675 4.73405 numMergedOcc 0
21 mol 83 unq 0 iso 1 dist 8.49115 7.55036 4.18675 9.98298 8.84888 4.73405 numMergedOcc 0
22 mol 83 unq 1 iso 0 dist 8.49115 9.98298 8.84888 8.32248 7.23248 14.1543 numMergedOcc 0
23 mol 83 unq 1 iso 1 dist 8.49115 8.32248 7.23248 9.98298 8.84888 14.1543 numMergedOcc 0
24 mol 83 unq 1 iso 0 dist 8.49115 7.55036 4.18675 8.32248 7.23248 9.89867 numMergedOcc 0
25 mol 83 unq 1 iso 1 dist 8.49115 8.32248 7.23248 7.55036 4.18675 9.89867 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 9.49584 9.50762 5.57954 7.57472 15.0685 12.1907 numMergedOcc 0
27 mol 141 unq 0 iso 1 dist 9.49584 7.57472 15.0685 9.50762 5.57954 12.1907 numMergedOcc 0
28 mol 158 unq 0 iso 0 dist 9.08686 5.78626 3.86041 4.68068 5.05049 3.19759 numMergedOcc 0
29 mol 158 unq 0 iso 1 dist 9.08686 4.68068 5.05049 5.78626 3.86041 3.19759 numMergedOcc 0
30 mol 184 unq 0 iso 0 dist 8.49577 9.511 6.83738 7.72354 4.57656 3.67493 numMergedOcc 0
31 mol 184 unq 0 iso 1 dist 8.49577 7.72354 4.57656 9.511 6.83738 3.67493 numMergedOcc 0
32 mol 239 unq 0 iso 0 dist 8.92121 7.14918 11.6389 9.29322 10.1445 12.7924 numMergedOcc 0
33 mol 239 unq 0 iso 1 dist 8.92121 9.29322 10.1445 7.14918 11.6389 12.7924 numMergedOcc 0
34 mol 254 unq 0 iso 0 dist 5.73448 9.47133 5.9731 7.61537 3.69576 2.67738 numMergedOcc 0
35 mol 254 unq 0 iso 1 dist 5.73448 7.61537 3.69576 9.47133 5.9731 2.67738 numMergedOcc 0
36 mol 254 unq 1 iso 0 dist 9.54526 9.47133 11.7647 7.61537 9.17109 2.67738 numMergedOcc 0
37 mol 254 unq 1 iso 1 dist 9.54526 7.61537 9.17109 9.47133 11.7647 2.67738 numMergedOcc 0
38 mol 279 unq 0 iso 0 dist 8.51994 5.76793 6.55422 7.72276 6.12997 9.77541 numMergedOcc 0
39 mol 279 unq 0 iso 1 dist 8.51994 7.72276 6.12997 5.76793 6.55422 9.77541 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 7.58907 9.2144 9.21351 8.36585 4.96187 4.68872 numMergedOcc 0
41 mol 287 unq 0 iso 1 dist 7.58907 8.36585 4.96187 9.2144 9.21351 4.68872 numMergedOcc 0
42 mol 288 unq 0 iso 0 dist 7.58907 9.2144 9.21351 8.36585 4.96187 4.68872 numMergedOcc 0
43 mol 288 unq 0 iso 1 dist 7.58907 8.36585 4.96187 9.2144 9.21351 4.68872 numMergedOcc 0
44 mol 289 unq 0 iso 0 dist 7.58907 9.2144 9.21351 8.36585 4.96187 4.68872 numMergedOcc 0
45 mol 289 unq 0 iso 1 dist 7.58907 8.36585 4.96187 9.2144 9.21351 4.68872 numMergedOcc 0
