@<TRIPOS>MOLECULE
FDBD00202
20 20 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 O 3.8509 0.4516 0.0012 O.3 1 UNK -0.5068
2 O1 -2.5999 1.4041 -0.0018 O.2 1 UNK -0.2758
3 N -1.5705 -0.7171 0.0001 N.am 1 UNK -0.2857
4 C -0.2066 -0.4231 -0.0002 C.ar 1 UNK 0.0336
5 C1 0.2205 0.9047 0.0004 C.ar 1 UNK -0.0370
6 C2 0.7298 -1.4570 -0.0007 C.ar 1 UNK -0.0370
7 C3 1.5841 1.1986 0.0002 C.ar 1 UNK -0.0184
8 C4 2.0933 -1.1629 -0.0007 C.ar 1 UNK -0.0184
9 C5 2.5204 0.1648 -0.0003 C.ar 1 UNK 0.1170
10 C6 -2.6485 0.1782 0.0009 C.2 1 UNK 0.2141
11 C7 -3.9735 -0.5420 0.0010 C.3 1 UNK 0.0125
12 H 4.1379 1.3436 0.0015 H 1 UNK 0.2921
13 H1 -1.8049 -1.6733 -0.0003 H 1 UNK 0.1548
14 H2 -0.4723 1.6696 0.0010 H 1 UNK 0.0637
15 H3 0.4138 -2.4394 -0.0011 H 1 UNK 0.0637
16 H4 1.9002 2.1810 0.0004 H 1 UNK 0.0655
17 H5 2.7861 -1.9278 -0.0010 H 1 UNK 0.0655
18 H6 -4.7686 0.1740 0.0016 H 1 UNK 0.0323
19 H7 -4.0457 -1.1559 0.8744 H 1 UNK 0.0323
20 H8 -4.0463 -1.1551 -0.8729 H 1 UNK 0.0323
@<TRIPOS>BOND
1 1 9 1
2 2 10 2
3 3 4 1
4 3 10 am
5 4 5 ar
6 4 6 ar
7 5 7 ar
8 6 8 ar
9 7 9 ar
10 8 9 ar
11 10 11 1
12 1 12 1
13 3 13 1
14 5 14 1
15 6 15 1
16 7 16 1
17 8 17 1
18 11 18 1
19 11 19 1
20 11 20 1