Y-Molwire TA

PM3 PRECISE XYZ

C -5.473 1 -1.003 1 2.527 1 
C -4.631 1 -0.95 1 1.255 1 
C -5.1 1 0.174 1 0.339 1 
C -3.162 1 -0.764 1 1.588 1 
O -2.724 1 -0.368 1 2.658 1 
O -2.396 1 -1.1 1 0.509 1 
C -0.985 1 -0.929 1 0.711 1 
C -0.241 1 -1.391 1 -0.544 1 
O 1.182 1 -1.312 1 -0.305 1 
C 1.752 1 -0.473 1 -1.33 1 
N 2.912 1 0.268 1 -0.836 1 
C 3.176 1 0.399 1 0.514 1 
C 4.243 1 1.062 1 0.969 1 
C 5.172 1 1.675 1 -0.001 1 
N 6.253 1 2.341 1 0.237 1 
O 6.509 1 2.446 1 1.609 1 
N 4.831 1 1.513 1 -1.314 1 
C 3.737 1 0.841 1 -1.795 1 
O 3.522 1 0.784 1 -3.004 1 
C 0.61 1 0.428 1 -1.833 1 
O 0.341 1 1.523 1 -0.945 1 
C -0.558 1 -0.54 1 -1.785 1 
O -0.532 1 -1.356 1 -2.963 1 
H -5.417 1 -0.061 1 3.084 1 
H -6.525 1 -1.195 1 2.29 1 
H -5.124 1 -1.801 1 3.192 1 
H -4.739 1 -1.915 1 0.744 1 
H -6.157 1 0.053 1 0.08 1 
H -4.974 1 1.153 1 0.815 1 
H -4.526 1 0.188 1 -0.594 1 
H -0.657 1 -1.533 1 1.566 1 
H -0.763 1 0.12 1 0.938 1 
H -0.486 1 -2.442 1 -0.737 1 
H 2.084 1 -1.141 1 -2.135 1 
H 2.482 1 -0.065 1 1.209 1 
H 4.454 1 1.161 1 2.026 1 
H 7.341 1 2.955 1 1.629 1 
H 5.445 1 1.924 1 -2.001 1 
H 0.806 1 0.831 1 -2.831 1 
H 1.181 1 2.01 1 -0.85 1 
H -1.531 1 -0.042 1 -1.736 1 
H -1.329 1 -1.916 1 -2.946 1

Bond info.
1 2 1
1 24 1
1 25 1
1 26 1
2 3 1
2 4 1
2 27 1
3 28 1
3 29 1
3 30 1
4 5 2
4 6 1
6 7 1
7 8 1
7 31 1
7 32 1
8 9 1
8 22 1
8 33 1
9 10 1
10 11 1
10 20 1
10 34 1
11 12 1
11 18 1
12 13 2
12 35 1
13 14 1
13 36 1
14 15 2
14 17 1
15 16 1
16 37 1
17 18 1
17 38 1
18 19 2
20 21 1
20 22 1
20 39 1
21 40 1
22 23 1
22 41 1
23 42 1