@<TRIPOS>MOLECULE
DB01057
38 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.2289     0.0359     0.1697	S.3	1	noname	0.0453
2	P1     2.1222     0.0703    -0.1473	P	1	noname	0.0148
3	C1    -0.4353     1.7020     0.0176	C.3	1	noname	0.0554
4	O1     2.6536    -1.2625    -0.0256	O.2	1	noname	-0.2195
5	O2     2.3956     0.6044    -1.5656	O.3	1	noname	-0.1738
6	O3     2.7992     0.9892     0.8866	O.3	1	noname	-0.1738
7	C2    -1.9440     1.6745     0.2702	C.3	1	noname	-0.0005
8	C3     3.7959     0.6298    -1.8000	C.3	1	noname	0.0582
9	C4     2.5471     0.4967     2.1944	C.3	1	noname	0.0582
10	N1    -2.4835     3.0278     0.1466	N.4	1	noname	0.0069
11	C5     4.0675     1.1605    -3.2091	C.3	1	noname	-0.0406
12	C6     3.2197     1.4096     3.2216	C.3	1	noname	-0.0406
13	C7    -3.9252     3.0016     0.3880	C.3	1	noname	-0.0215
14	C8    -1.8408     3.9001     1.1282	C.3	1	noname	-0.0215
15	C9    -2.2239     3.5348    -1.1998	C.3	1	noname	-0.0215
16	H1    -0.0459     2.3233     0.8241	H	1	noname	0.0456
17	H2    -0.3489     2.0344    -1.0169	H	1	noname	0.0456
18	H3    -2.4012     1.0948    -0.5317	H	1	noname	0.0949
19	H4    -2.0982     1.3836     1.3093	H	1	noname	0.0949
20	H5     4.1974     1.3484    -1.0855	H	1	noname	0.0573
21	H6     4.1158    -0.4116    -1.7639	H	1	noname	0.0573
22	H7     1.4683     0.5723     2.3307	H	1	noname	0.0573
23	H8     3.0350    -0.4771     2.2375	H	1	noname	0.0573
24	H9     4.1995     0.3226    -3.8937	H	1	noname	0.0254
25	H10     3.2244     1.7684    -3.5372	H	1	noname	0.0254
26	H11     4.9722     1.7684    -3.2003	H	1	noname	0.0254
27	H12     2.9702     1.0710     4.2271	H	1	noname	0.0254
28	H13     4.3006     1.3763     3.0847	H	1	noname	0.0254
29	H14     2.8675     2.4321     3.0847	H	1	noname	0.0254
30	H15    -4.1138     2.9981     1.4616	H	1	noname	0.0902
31	H16    -4.3845     3.8833    -0.0588	H	1	noname	0.0902
32	H17    -4.3521     2.1037    -0.0588	H	1	noname	0.0902
33	H18    -2.0903     3.5614     2.1337	H	1	noname	0.0902
34	H19    -0.7600     3.8667     0.9913	H	1	noname	0.0902
35	H20    -2.1930     4.9225     0.9913	H	1	noname	0.0902
36	H21    -2.0920     2.6969    -1.8844	H	1	noname	0.0902
37	H22    -3.0671     4.1427    -1.5279	H	1	noname	0.0902
38	H23    -1.3193     4.1427    -1.1910	H	1	noname	0.0902
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	2	6	1
6	3	7	1
7	5	8	1
8	6	9	1
9	7	10	1
10	8	11	1
11	9	12	1
12	10	13	1
13	10	14	1
14	10	15	1
15	3	16	1
16	3	17	1
17	7	18	1
18	7	19	1
19	8	20	1
20	8	21	1
21	9	22	1
22	9	23	1
23	11	24	1
24	11	25	1
25	11	26	1
26	12	27	1
27	12	28	1
28	12	29	1
29	13	30	1
30	13	31	1
31	13	32	1
32	14	33	1
33	14	34	1
34	14	35	1
35	15	36	1
36	15	37	1
37	15	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1