@<TRIPOS>MOLECULE
DB02409
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.6088    -0.0065    -0.1967	N.3	1	noname	-0.3106
2	C1     0.1301    -0.1066    -0.1612	C.3	1	noname	0.0208
3	C2     2.0111     0.1690     1.2283	C.3	1	noname	-0.0009
4	C3    -0.1050    -0.9030     1.1198	C.3	1	noname	-0.0133
5	C4    -0.5824     1.2445     0.1334	C.3	1	noname	-0.0343
6	C5    -0.4509    -0.8283    -1.3956	C.3	1	noname	-0.0463
7	C6     0.6229     0.1606     1.9187	C.3	1	noname	-0.0218
8	C7     0.7355    -2.1810     1.0874	C.3	1	noname	-0.0578
9	C8    -1.5808    -1.1195     1.4606	C.3	1	noname	-0.0578
10	C9    -0.2078     1.4374     1.6186	C.3	1	noname	-0.0469
11	H1     2.2075    -0.0485    -1.0090	H	1	noname	0.1227
12	H2     2.5683    -0.7165     1.5341	H	1	noname	0.0431
13	H3     2.4577     1.1576     1.3345	H	1	noname	0.0431
14	H4    -0.1018     2.0294    -0.4506	H	1	noname	0.0285
15	H5    -1.6600     1.0956     0.0636	H	1	noname	0.0285
16	H6    -0.3831    -1.9066    -1.2514	H	1	noname	0.0249
17	H7    -1.4953    -0.5440    -1.5246	H	1	noname	0.0249
18	H8     0.1152    -0.5440    -2.2826	H	1	noname	0.0249
19	H9     0.7255     0.0273     2.9956	H	1	noname	0.0322
20	H10     0.9471    -2.5027     2.1071	H	1	noname	0.0237
21	H11     0.1856    -2.9644     0.5659	H	1	noname	0.0237
22	H12     1.6727    -1.9863     0.5659	H	1	noname	0.0237
23	H13    -1.7048    -1.1377     2.5434	H	1	noname	0.0237
24	H14    -2.1737    -0.3070     1.0406	H	1	noname	0.0237
25	H15    -1.9153    -2.0681     1.0406	H	1	noname	0.0237
26	H16     0.4519     2.3018     1.6938	H	1	noname	0.0271
27	H17    -1.1235     1.3977     2.2086	H	1	noname	0.0271
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	2	6	1
6	7	3	1
7	4	8	1
8	4	9	1
9	4	7	1
10	5	10	1
11	7	10	1
12	1	11	1
13	3	12	1
14	3	13	1
15	5	14	1
16	5	15	1
17	6	16	1
18	6	17	1
19	6	18	1
20	7	19	1
21	8	20	1
22	8	21	1
23	8	22	1
24	9	23	1
25	9	24	1
26	9	25	1
27	10	26	1
28	10	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1