@<TRIPOS>MOLECULE
DB05245
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.9315    -1.7061    -0.1730	S	1	noname	-0.2163
2	O1     0.1890    -2.7290     0.3754	O.2	1	noname	-0.3831
3	O2    -2.2440    -2.5303    -0.5995	O.2	1	noname	-0.3831
4	N1    -1.4158    -0.6347     1.0761	N.3	1	noname	-0.1697
5	C1    -0.1344    -0.8949    -1.5129	C.2	1	noname	-0.0331
6	C2    -1.6967    -1.0408     2.3357	C.2	1	noname	0.1095
7	C3     0.6089     0.3041    -1.2892	C.2	1	noname	-0.0122
8	C4    -0.1649    -1.5480    -2.7807	C.2	1	noname	-0.0122
9	N2    -2.0606    -0.1856     3.3598	N.2	1	noname	-0.1958
10	N3    -1.5537    -2.3692     2.6244	N.2	1	noname	-0.1958
11	C5     1.3044     0.9063    -2.3846	C.2	1	noname	-0.0536
12	C6     0.5246    -0.9601    -3.8819	C.2	1	noname	-0.0536
13	C7    -2.2469    -0.6318     4.6446	C.2	1	noname	0.0201
14	C8    -1.7419    -2.8626     3.8838	C.2	1	noname	0.0201
15	C9     1.2364     0.2620    -3.6618	C.2	1	noname	-0.0195
16	C10    -2.0887    -2.0052     4.9581	C.2	1	noname	-0.0045
17	N4     1.8681     0.8294    -4.6985	N.3	1	noname	-0.1535
18	H1     0.6449     0.7532    -0.2966	H	1	noname	0.0633
19	H2    -0.7083    -2.4845    -2.9065	H	1	noname	0.0633
20	H3     1.8695     1.8287    -2.2501	H	1	noname	0.0639
21	H4     0.5082    -1.4318    -4.8644	H	1	noname	0.0639
22	H5    -2.5178     0.0973     5.4083	H	1	noname	0.0840
23	H6    -1.6160    -3.9353     4.0307	H	1	noname	0.0840
24	H7    -2.2264    -2.3820     5.9716	H	1	noname	0.0655
25	H8     1.3592     1.0433    -5.5443	H	1	noname	0.1242
26	H9     2.8530     1.0433    -4.6340	H	1	noname	0.1242
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	2
9	6	10	1
10	7	11	1
11	8	12	2
12	9	13	1
13	10	14	2
14	11	15	2
15	12	15	1
16	13	16	2
17	14	16	1
18	15	17	1
19	7	18	1
20	8	19	1
21	11	20	1
22	12	21	1
23	13	22	1
24	14	23	1
25	16	24	1
26	17	25	1
27	17	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1