@<TRIPOS>MOLECULE
DB04433
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.6545     3.0765    -1.4002	O.2	1	noname	-0.2859
2	C1     0.0379     2.2502    -0.6934	C.2	1	noname	0.0576
3	N1     0.2759     0.7674    -0.7850	N.3	1	noname	-0.0542
4	C2    -1.0355     2.6747     0.3497	C.3	1	noname	0.1260
5	C3    -0.5435    -0.1726     0.0557	C.3	1	noname	0.0811
6	C4     1.6505     0.5432    -0.3285	C.3	1	noname	0.0067
7	N2    -1.2084     1.7191     1.3664	N.2	1	noname	-0.2162
8	C5    -0.6398     4.0153     0.9720	C.3	1	noname	-0.0208
9	C6    -1.0149     0.4478     1.2913	C.2	1	noname	0.0303
10	C7     0.3279    -1.3993     0.3140	C.3	1	noname	-0.0281
11	C8     1.7491    -0.9613    -0.0502	C.3	1	noname	-0.0379
12	C9    -1.6954     4.4328     1.9978	C.3	1	noname	-0.0377
13	O2    -1.2466    -0.3072     2.3489	O.3	1	noname	-0.2601
14	C10    -1.2997     5.7734     2.6200	C.3	1	noname	0.0024
15	N3    -2.2725     6.1581     3.5654	N.3	1	noname	-0.1252
16	C11    -1.9337     7.3060     4.0982	C.2	1	noname	-0.1456
17	N4    -2.6778     7.8421     4.9839	N.2	1	noname	-0.2746
18	N5    -0.8303     7.9030     3.7209	N.3	1	noname	-0.1344
19	H1    -2.0255     2.7050    -0.1052	H	1	noname	0.0649
20	H2    -1.4776    -0.4281    -0.4445	H	1	noname	0.0561
21	H3     2.3056     0.7801    -1.1668	H	1	noname	0.0436
22	H4     1.7613     1.0744     0.6168	H	1	noname	0.0436
23	H5     0.2850     3.8455     1.5234	H	1	noname	0.0294
24	H6    -0.6692     4.7546     0.1716	H	1	noname	0.0294
25	H7     0.3064    -1.6008     1.3850	H	1	noname	0.0288
26	H8     0.0274    -2.1732    -0.3923	H	1	noname	0.0288
27	H9     2.0171    -1.4538    -0.9849	H	1	noname	0.0280
28	H10     2.3723    -1.0941     0.8341	H	1	noname	0.0280
29	H11    -2.6202     4.6026     1.4464	H	1	noname	0.0280
30	H12    -1.6660     3.6935     2.7982	H	1	noname	0.0280
31	H13    -1.1920    -1.2327     2.0996	H	1	noname	0.2196
32	H14    -0.3839     5.6252     3.1924	H	1	noname	0.0432
33	H15    -1.3381     6.5343     1.8405	H	1	noname	0.0432
34	H16    -3.1149     5.6680     3.8305	H	1	noname	0.1306
35	H17    -2.3375     7.5969     5.9028	H	1	noname	0.1898
36	H18     0.0112     7.3638     3.5754	H	1	noname	0.1267
37	H19    -0.8213     8.9024     3.5754	H	1	noname	0.1267
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	5	3	1
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	1
11	7	9	2
12	8	12	1
13	9	13	1
14	10	11	1
15	12	14	1
16	14	15	1
17	15	16	1
18	16	17	2
19	16	18	1
20	4	19	1
21	5	20	1
22	6	21	1
23	6	22	1
24	8	23	1
25	8	24	1
26	10	25	1
27	10	26	1
28	11	27	1
29	11	28	1
30	12	29	1
31	12	30	1
32	13	31	1
33	14	32	1
34	14	33	1
35	15	34	1
36	17	35	1
37	18	36	1
38	18	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1