@<TRIPOS>MOLECULE
DB03434
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.0168    -2.2423     4.8189	S	1	noname	0.0265
2	O1    -0.6280    -1.2240     5.9765	O.2	1	noname	-0.1609
3	O2    -0.8557    -3.7330     5.3480	O.2	1	noname	-0.1609
4	O3    -2.6200    -1.9801     4.3530	O.3	1	noname	-0.1456
5	C1     0.0682    -1.9867     3.4056	C.3	1	noname	0.0834
6	C2    -0.1919    -0.6031     2.8066	C.3	1	noname	-0.0217
7	C3     0.7304    -0.3858     1.6053	C.3	1	noname	-0.0003
8	N1     0.4818     0.9363     1.0329	N.3	1	noname	-0.2986
9	C4     0.7538     1.9931     2.0727	C.3	1	noname	0.0219
10	C5     1.1424     1.0309    -0.3191	C.3	1	noname	0.0219
11	C6     1.2456     3.3393     1.4640	C.3	1	noname	0.0595
12	C7     2.4335     1.9045    -0.3091	C.3	1	noname	0.0595
13	O4     2.2682     3.1703     0.4209	O.3	1	noname	-0.3786
14	H1    -3.1699    -1.8902     5.1348	H	1	noname	0.2384
15	H2     1.1023    -1.9345     3.7462	H	1	noname	0.0488
16	H3    -0.2083    -2.6743     2.6063	H	1	noname	0.0488
17	H4    -1.2119    -0.6132     2.4224	H	1	noname	0.0293
18	H5     0.0986     0.1267     3.5623	H	1	noname	0.0293
19	H6     1.7548    -0.3643     1.9769	H	1	noname	0.0431
20	H7     0.4443    -1.1042     0.8370	H	1	noname	0.0431
21	H8    -0.2110     2.1959     2.5376	H	1	noname	0.0454
22	H9     1.5766     1.6036     2.6721	H	1	noname	0.0454
23	H10     1.4553     0.0148    -0.5595	H	1	noname	0.0454
24	H11     0.4231     1.5449    -0.9568	H	1	noname	0.0454
25	H12     0.3945     3.7866     0.9504	H	1	noname	0.0579
26	H13     1.7487     3.8850     2.2622	H	1	noname	0.0579
27	H14     3.1882     1.3539     0.2525	H	1	noname	0.0579
28	H15     2.6286     2.1993    -1.3401	H	1	noname	0.0579
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	8	10	1
10	9	11	1
11	10	12	1
12	11	13	1
13	12	13	1
14	4	14	1
15	5	15	1
16	5	16	1
17	6	17	1
18	6	18	1
19	7	19	1
20	7	20	1
21	9	21	1
22	9	22	1
23	10	23	1
24	10	24	1
25	11	25	1
26	11	26	1
27	12	27	1
28	12	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1