@<TRIPOS>MOLECULE
DB07437
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7119    -0.9572    -0.3139	O.2	1	noname	-0.2800
2	C1    -0.0838     0.1026    -0.1025	C.2	1	noname	0.0292
3	N1    -0.7080     1.2094     0.4309	N.3	1	noname	0.0352
4	N2     1.2590     0.2080    -0.3940	N.3	1	noname	0.0800
5	C2    -0.0353     2.3898     0.6729	C.2	1	noname	-0.0363
6	C3    -2.0816     1.1331     0.7400	C.3	1	noname	0.1111
7	C4     1.9731     1.3674    -0.1693	C.2	1	noname	0.0655
8	C5     1.3542     2.5287     0.3815	C.2	1	noname	0.0466
9	O2    -2.8167     0.8414    -0.4394	O.3	1	noname	-0.3627
10	O3     3.1896     1.4007    -0.4549	O.2	1	noname	-0.2882
11	C6     2.0879     3.7665     0.6284	C.3	1	noname	0.0033
12	C7    -4.2000     0.7646    -0.1281	C.3	1	noname	0.0716
13	C8     2.0229     4.6157    -0.5575	C.2	1	noname	-0.0529
14	C9    -4.9920     0.4502    -1.3988	C.3	1	noname	0.0667
15	C10     2.6525     5.8549    -0.5604	C.2	1	noname	-0.0559
16	C11     1.3313     4.1849    -1.6837	C.2	1	noname	-0.0559
17	O4    -6.3754     0.3734    -1.0875	O.3	1	noname	-0.3938
18	C12     2.5906     6.6633    -1.6894	C.2	1	noname	-0.0602
19	C13     1.2693     4.9933    -2.8127	C.2	1	noname	-0.0602
20	C14     1.8990     6.2325    -2.8156	C.2	1	noname	-0.0615
21	H1     1.7359    -0.5915    -0.7856	H	1	noname	0.1418
22	H2    -0.6046     3.2171     1.0966	H	1	noname	0.0762
23	H3    -2.2045     0.2813     1.4088	H	1	noname	0.0749
24	H4    -2.3846     2.1287     1.0641	H	1	noname	0.0749
25	H5     1.5581     4.2934     1.4221	H	1	noname	0.0367
26	H6     3.1341     3.4911     0.7611	H	1	noname	0.0367
27	H7    -4.2989    -0.0832     0.5498	H	1	noname	0.0591
28	H8    -4.4790     1.7642     0.2051	H	1	noname	0.0591
29	H9    -4.8932     1.2980    -2.0767	H	1	noname	0.0587
30	H10    -4.7130    -0.5494    -1.7320	H	1	noname	0.0587
31	H11     3.1948     6.1927     0.3227	H	1	noname	0.0625
32	H12     0.8375     3.2131    -1.6814	H	1	noname	0.0625
33	H13    -6.4890     0.3671    -0.1343	H	1	noname	0.2101
34	H14     3.0843     7.6350    -1.6917	H	1	noname	0.0622
35	H15     0.7270     4.6554    -3.6958	H	1	noname	0.0622
36	H16     1.8504     6.8664    -3.7010	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	5	8	2
8	6	9	1
9	7	10	2
10	7	8	1
11	8	11	1
12	9	12	1
13	11	13	1
14	12	14	1
15	13	15	2
16	13	16	1
17	14	17	1
18	15	18	1
19	16	19	2
20	18	20	2
21	19	20	1
22	4	21	1
23	5	22	1
24	6	23	1
25	6	24	1
26	11	25	1
27	11	26	1
28	12	27	1
29	12	28	1
30	14	29	1
31	14	30	1
32	15	31	1
33	16	32	1
34	17	33	1
35	18	34	1
36	19	35	1
37	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1