0 mol 7 unq 0 iso 0 dist 9.60361 12.1978 9.67164 9.62914 13.156 7.10621 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.60361 4.78012 5.99459 11.5381 6.88805 8.41585 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.04822 6.32132 7.52933 7.0928 5.03027 5.04899 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 7.72717 6.32132 8.23761 7.0928 8.17061 5.04899 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 5.19462 7.23774 6.66407 9.16827 5.07458 5.73819 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 8.65122 14.1823 9.03564 15.1496 6.75591 8.66265 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 5.73075 7.35881 6.56212 6.85083 7.31539 7.17396 numMergedOcc 0
7 mol 59 unq 1 iso 0 dist 5.73075 7.35881 6.56212 12.4944 11.1607 9.21998 numMergedOcc 0
8 mol 60 unq 0 iso 0 dist 8.93538 11.9377 7.57295 13.3554 7.80499 6.65595 numMergedOcc 0
9 mol 60 unq 1 iso 0 dist 8.93538 11.9377 7.57295 12.4912 5.6397 9.25011 numMergedOcc 0
10 mol 60 unq 2 iso 0 dist 8.93538 11.9377 7.57295 15.2792 8.62476 6.43294 numMergedOcc 0
11 mol 60 unq 3 iso 0 dist 8.93538 11.9377 7.57295 15.2733 6.55502 8.52121 numMergedOcc 0
12 mol 60 unq 4 iso 0 dist 8.93538 8.71681 8.4312 15.2792 8.62476 8.7531 numMergedOcc 0
13 mol 60 unq 5 iso 0 dist 8.93538 6.05904 7.48086 13.3554 7.80499 8.90863 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 8.3435 6.80709 8.3773 5.89394 4.46885 7.4729 numMergedOcc 0
15 mol 95 unq 0 iso 0 dist 9.05612 6.40193 9.3948 6.05043 3.94537 7.27724 numMergedOcc 0
16 mol 95 unq 1 iso 0 dist 9.05612 6.40193 9.3948 10.3984 11.3215 8.03644 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 9.91835 11.7846 7.54889 13.0448 10.4782 6.10456 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 9.29692 10.9992 5.10496 10.6124 3.9764 5.08437 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 9.29692 6.16706 5.92242 10.6124 3.9764 6.48948 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 9.29692 14.2079 5.2571 10.6124 3.9764 6.10456 numMergedOcc 0
21 mol 98 unq 4 iso 0 dist 9.29532 6.16706 7.02507 10.6124 7.03983 6.48948 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 7.6935 5.65902 7.54889 10.671 10.4782 6.10456 numMergedOcc 0
23 mol 98 unq 6 iso 0 dist 8.71558 13.2064 5.10496 10.671 3.9764 5.08437 numMergedOcc 0
24 mol 98 unq 7 iso 0 dist 8.71558 10.7799 5.92242 10.671 3.9764 6.48948 numMergedOcc 0
25 mol 98 unq 8 iso 0 dist 8.71558 5.65902 5.2571 10.671 3.9764 6.10456 numMergedOcc 0
26 mol 117 unq 0 iso 0 dist 8.00954 7.23683 8.19331 10.0226 3.55765 7.83136 numMergedOcc 0
27 mol 117 unq 1 iso 0 dist 8.00954 9.47326 8.85711 10.0226 3.55765 7.0603 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 9.9292 14.5985 8.95212 13.1001 4.39676 6.18601 numMergedOcc 0
29 mol 119 unq 1 iso 0 dist 9.9292 6.92096 6.99446 8.32004 6.20019 9.87172 numMergedOcc 0
30 mol 119 unq 2 iso 0 dist 9.9292 11.7253 7.64052 15.0885 9.68677 8.73993 numMergedOcc 0
31 mol 167 unq 0 iso 0 dist 5.57495 5.89138 7.20495 10.9271 7.87971 9.87651 numMergedOcc 0
32 mol 167 unq 1 iso 0 dist 9.38297 5.89138 7.02548 10.9271 11.6011 9.87651 numMergedOcc 0
33 mol 178 unq 0 iso 0 dist 8.62441 9.73148 9.11204 6.01118 8.44333 6.69288 numMergedOcc 0
34 mol 178 unq 1 iso 0 dist 8.62441 9.73148 9.11204 10.064 6.8202 6.43573 numMergedOcc 0
35 mol 178 unq 2 iso 0 dist 8.62441 9.73148 9.11204 16.3874 14.9499 7.17202 numMergedOcc 0
36 mol 178 unq 3 iso 0 dist 8.62441 9.73148 9.11204 18.2053 14.2467 8.81551 numMergedOcc 0
37 mol 222 unq 0 iso 0 dist 7.17095 5.15194 6.74196 10.8642 8.84507 6.00706 numMergedOcc 0
38 mol 222 unq 1 iso 0 dist 7.17095 5.15194 6.74196 12.1932 12.8595 7.54212 numMergedOcc 0
