@<TRIPOS>MOLECULE
DB04196
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     9.7958     3.3154    -0.8548	O.2	1	noname	-0.2605
2	C1     8.8488     3.9896    -1.3144	C.2	1	noname	0.0770
3	O2     9.1002     5.1075    -2.0282	O.3	1	noname	-0.2195
4	C2     7.5370     3.5881    -1.0906	C.2	1	noname	-0.0368
5	C3     6.4840     4.3378    -1.6017	C.2	1	noname	-0.0077
6	C4     7.2782     2.4371    -0.3556	C.2	1	noname	-0.0077
7	C5     5.1722     3.9364    -1.3779	C.2	1	noname	-0.0497
8	C6     5.9664     2.0356    -0.1318	C.2	1	noname	-0.0497
9	C7     4.9134     2.7853    -0.6429	C.2	1	noname	-0.0087
10	N1     3.6488     2.3983    -0.4271	N.3	1	noname	-0.1373
11	C8     3.6437     1.2131     0.3366	C.3	1	noname	0.0440
12	C9     2.2659     0.7914     0.5717	C.2	1	noname	0.0560
13	N2     1.4410     0.5039    -0.4811	N.2	1	noname	-0.1951
14	C10     1.7688     0.6756     1.8893	C.2	1	noname	0.0563
15	C11     0.1449     0.1059    -0.3093	C.2	1	noname	0.0622
16	N3     0.4695     0.2767     2.0692	N.2	1	noname	-0.1855
17	C12    -0.7111    -0.1921    -1.3905	C.2	1	noname	0.1179
18	C13    -0.3811    -0.0183     1.0304	C.2	1	noname	0.0851
19	O3    -0.2876    -0.0980    -2.6689	O.3	1	noname	-0.2374
20	N4    -1.9783    -0.5775    -1.0923	N.2	1	noname	-0.1936
21	N5    -1.6696    -0.4128     1.2459	N.2	1	noname	-0.2047
22	C14    -2.4861    -0.6980     0.1796	C.2	1	noname	0.1066
23	N6    -3.7536    -1.0865     0.3748	N.3	1	noname	-0.0759
24	H1     9.2647     5.8394    -1.4292	H	1	noname	0.2216
25	H2     6.6869     5.2404    -2.1780	H	1	noname	0.0631
26	H3     8.1040     1.8492     0.0452	H	1	noname	0.0631
27	H4     4.3464     4.5242    -1.7787	H	1	noname	0.0639
28	H5     5.7635     1.1330     0.4445	H	1	noname	0.0639
29	H6     2.8480     2.9058    -0.7755	H	1	noname	0.1285
30	H7     4.1162     0.4508    -0.2829	H	1	noname	0.0499
31	H8     4.0741     1.4732     1.3037	H	1	noname	0.0499
32	H9     2.3844     0.8927     2.7623	H	1	noname	0.0860
33	H10    -0.1673    -0.9785    -3.0319	H	1	noname	0.2199
34	H11    -4.4876    -0.3966     0.4484	H	1	noname	0.1273
35	H12    -3.9750    -2.0692     0.4484	H	1	noname	0.1273
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	2
9	8	9	1
10	9	10	1
11	10	11	1
12	11	12	1
13	12	13	2
14	12	14	1
15	13	15	1
16	14	16	2
17	15	17	2
18	15	18	1
19	16	18	1
20	17	19	1
21	17	20	1
22	18	21	2
23	20	22	2
24	21	22	1
25	22	23	1
26	3	24	1
27	5	25	1
28	6	26	1
29	7	27	1
30	8	28	1
31	10	29	1
32	11	30	1
33	11	31	1
34	14	32	1
35	19	33	1
36	23	34	1
37	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1