@<TRIPOS>MOLECULE
FDBD00749
38 39 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 O -3.9354 2.9061 -0.4362 O.3 1 UNK -0.5068
2 O1 3.9354 2.9061 0.4362 O.3 1 UNK -0.5068
3 C -0.6861 -1.6074 0.2608 C.2 1 UNK -0.0147
4 C1 0.6862 -1.6075 -0.2608 C.2 1 UNK -0.0147
5 C2 -1.5460 -0.4143 0.0769 C.ar 1 UNK -0.0174
6 C3 1.5461 -0.4143 -0.0768 C.ar 1 UNK -0.0174
7 C4 -1.2475 -2.6648 0.8860 C.2 1 UNK -0.0788
8 C5 1.2472 -2.6650 -0.8857 C.2 1 UNK -0.0788
9 C6 -1.5626 0.5569 1.0588 C.ar 1 UNK -0.0506
10 C7 1.5626 0.5568 -1.0588 C.ar 1 UNK -0.0506
11 C8 -2.3054 -0.3070 -1.0717 C.ar 1 UNK -0.0506
12 C9 2.3055 -0.3069 1.0717 C.ar 1 UNK -0.0506
13 C10 -2.3711 1.6801 0.8854 C.ar 1 UNK -0.0196
14 C11 2.3713 1.6801 -0.8854 C.ar 1 UNK -0.0196
15 C12 -3.1138 0.8163 -1.2452 C.ar 1 UNK -0.0196
16 C13 3.1138 0.8165 1.2452 C.ar 1 UNK -0.0196
17 C14 -3.1469 1.8099 -0.2667 C.ar 1 UNK 0.1169
18 C15 3.1469 1.8099 0.2665 C.ar 1 UNK 0.1169
19 C16 -2.6426 -2.7754 1.4180 C.3 1 UNK -0.0459
20 C17 2.6424 -2.7760 -1.4179 C.3 1 UNK -0.0459
21 H -3.9575 3.5735 0.2212 H 1 UNK 0.2921
22 H1 3.9577 3.5735 -0.2211 H 1 UNK 0.2921
23 H2 -0.6446 -3.4929 1.0116 H 1 UNK 0.0575
24 H3 0.6442 -3.4930 -1.0111 H 1 UNK 0.0575
25 H4 -0.9855 0.4531 1.9080 H 1 UNK 0.0625
26 H5 0.9854 0.4529 -1.9080 H 1 UNK 0.0625
27 H6 -2.2752 -1.0467 -1.7907 H 1 UNK 0.0625
28 H7 2.2754 -1.0466 1.7907 H 1 UNK 0.0625
29 H8 -2.3954 2.4151 1.6094 H 1 UNK 0.0654
30 H9 2.3957 2.4151 -1.6094 H 1 UNK 0.0654
31 H10 -3.6875 0.9124 -2.0976 H 1 UNK 0.0654
32 H11 3.6874 0.9128 2.0977 H 1 UNK 0.0654
33 H12 -3.1689 -1.8627 1.2313 H 1 UNK 0.0272
34 H13 -2.6090 -2.9587 2.4717 H 1 UNK 0.0272
35 H14 -3.1469 -3.5839 0.9312 H 1 UNK 0.0272
36 H15 3.1689 -1.8633 -1.2315 H 1 UNK 0.0272
37 H16 2.6087 -2.9595 -2.4715 H 1 UNK 0.0272
38 H17 3.1466 -3.5845 -0.9310 H 1 UNK 0.0272
@<TRIPOS>BOND
1 1 17 1
2 2 18 1
3 3 4 1
4 3 5 1
5 3 7 2
6 4 6 1
7 4 8 2
8 5 9 ar
9 5 11 ar
10 6 10 ar
11 6 12 ar
12 7 19 1
13 8 20 1
14 9 13 ar
15 10 14 ar
16 11 15 ar
17 12 16 ar
18 13 17 ar
19 14 18 ar
20 15 17 ar
21 16 18 ar
22 1 21 1
23 2 22 1
24 7 23 1
25 8 24 1
26 9 25 1
27 10 26 1
28 11 27 1
29 12 28 1
30 13 29 1
31 14 30 1
32 15 31 1
33 16 32 1
34 19 33 1
35 19 34 1
36 19 35 1
37 20 36 1
38 20 37 1
39 20 38 1