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@<TRIPOS>MOLECULE
DrugBank_3505
34 33 0 0 0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
1 C8 8.9730 0.0862 0.6203 C.2 1 <0> 0.0000
2 C7 8.0926 -0.5904 -0.1255 C.2 1 <0> 0.0000
3 C9 -0.8498 2.5797 -2.7141 C.2 1 <0> 0.0000
4 C5 5.4517 0.4113 -2.5697 C.cat 1 <0> 0.0000
5 C6 7.6384 -0.1538 -1.4777 C.3 1 <0> 0.0000
6 C3 1.7448 1.0171 -3.1304 C.3 1 <0> 0.0000
7 C2 1.5101 2.0182 -1.9877 C.3 1 <0> 0.0000
8 C4 3.2105 0.9538 -3.5575 C.3 1 <0> 0.0000
9 C1 0.0422 2.1631 -1.5584 C.3 1 <0> 0.0000
10 N3 6.0879 0.6766 -3.7828 N.pl3 1 <0> 0.0000
11 N1 -0.4813 0.9142 -1.0058 N.3 1 <0> 0.0000
12 N2 4.0525 0.5455 -2.4583 N.pl3 1 <0> 0.0000
13 N4 6.1853 0.0093 -1.4473 N.pl3 1 <0> 0.0000
14 O2 -1.7941 1.9347 -3.1513 O.2 1 <0> 0.0000
15 O1 -0.4830 3.7827 -3.2304 O.3 1 <0> 0.0000
16 H17 9.2675 -0.2863 1.5954 H 1 <0> 0.0000
17 H18 9.4124 1.0158 0.2759 H 1 <0> 0.0000
18 H16 7.6856 -1.5197 0.2643 H 1 <0> 0.0000
19 H14 7.8859 -0.9123 -2.2261 H 1 <0> 0.0000
20 H15 8.0844 0.7969 -1.7855 H 1 <0> 0.0000
21 H6 1.1494 1.3097 -4.0030 H 1 <0> 0.0000
22 H7 1.4073 0.0181 -2.8296 H 1 <0> 0.0000
23 H4 2.1073 1.7171 -1.1183 H 1 <0> 0.0000
24 H5 1.8883 3.0022 -2.2947 H 1 <0> 0.0000
25 H8 3.3229 0.2291 -4.3705 H 1 <0> 0.0000
26 H9 3.5435 1.9262 -3.9349 H 1 <0> 0.0000
27 H3 -0.0379 2.9289 -0.7775 H 1 <0> 0.0000
28 H11 7.0952 0.5870 -3.8881 H 1 <0> 0.0000
29 H12 5.5674 0.9692 -4.6056 H 1 <0> 0.0000
30 H1 -1.4667 0.7714 -1.0266 H 1 <0> 0.0000
31 H2 0.1310 0.3549 -0.4543 H 1 <0> 0.0000
32 H10 3.6427 0.3356 -1.5399 H 1 <0> 0.0000
33 H13 5.6788 -0.1738 -0.5835 H 1 <0> 0.0000
34 H19 0.2890 4.2060 -2.7979 H 1 <0> 0.0000
@<TRIPOS>BOND
1 1 2 2
2 2 5 1
3 3 9 1
4 3 14 2
5 3 15 1
6 4 10 1
7 4 12 1
8 4 13 2
9 5 13 1
10 6 7 1
11 6 8 1
12 7 9 1
13 8 12 1
14 9 11 1
15 1 16 1
16 1 17 1
17 2 18 1
18 5 19 1
19 5 20 1
20 6 21 1
21 6 22 1
22 7 23 1
23 7 24 1
24 8 25 1
25 8 26 1
26 9 27 1
27 10 28 1
28 10 29 1
29 11 30 1
30 11 31 1
31 12 32 1
32 13 33 1
33 15 34 1
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