@<TRIPOS>MOLECULE
DB04013
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.2987     0.1898    -0.1994	O.3	1	noname	-0.3359
2	C1     1.7170    -0.1530    -0.0790	C.3	1	noname	0.2569
3	C2    -0.3327     0.3000    -1.5159	C.3	1	noname	0.1127
4	N1     1.8407    -1.4800     0.2589	N.2	1	noname	-0.1522
5	C3     2.2599     0.5295     1.0543	C.2	1	noname	0.0416
6	C4     2.6064     0.1517    -1.3197	C.3	1	noname	0.1404
7	C5     0.3703    -0.4540    -2.6829	C.3	1	noname	0.1112
8	C6    -1.7912    -0.1527    -1.4216	C.3	1	noname	0.0722
9	C7     0.9587    -2.3192    -0.1199	C.2	1	noname	0.0428
10	O2     1.7645     0.3084     2.2576	O.3	1	noname	-0.2509
11	N2     3.2226     1.3516     0.9024	N.2	1	noname	-0.2221
12	O3     2.9113     1.5382    -1.3546	O.3	1	noname	-0.3845
13	C8     1.9191    -0.2636    -2.6579	C.3	1	noname	0.1138
14	O4    -0.1436     0.0089    -3.9231	O.3	1	noname	-0.3874
15	O5    -2.4833     0.6706    -0.4944	O.3	1	noname	-0.3934
16	O6     1.0775    -3.5932     0.2044	O.3	1	noname	-0.2169
17	O7    -0.0732    -1.9141    -0.8365	O.3	1	noname	-0.2252
18	O8     2.5476    -1.4291    -3.1710	O.3	1	noname	-0.3873
19	C9     1.8134    -4.2715    -0.8029	C.3	1	noname	0.0460
20	H1    -0.2321     1.3672    -1.7136	H	1	noname	0.0657
21	H2     3.5678    -0.3520    -1.2196	H	1	noname	0.0686
22	H3     0.1202    -1.5143    -2.6465	H	1	noname	0.0657
23	H4    -2.2653     0.0327    -2.3854	H	1	noname	0.0591
24	H5    -1.8069    -1.1535    -0.9901	H	1	noname	0.0591
25	H6     1.7021    -0.6375     2.4091	H	1	noname	0.2197
26	H7     3.5631     1.6423     1.8077	H	1	noname	0.1897
27	H8     2.9848     1.8723    -0.4576	H	1	noname	0.2108
28	H9     2.1213     0.5521    -3.3520	H	1	noname	0.0658
29	H10    -0.3723    -0.7424    -4.4751	H	1	noname	0.2106
30	H11    -2.2589     0.4037     0.4001	H	1	noname	0.2101
31	H12    -0.7806    -1.6363    -0.2501	H	1	noname	0.2220
32	H13     2.8444    -1.9795    -2.4427	H	1	noname	0.2106
33	H14     1.7121    -5.3479    -0.6643	H	1	noname	0.0536
34	H15     1.4279    -3.9937    -1.7838	H	1	noname	0.0536
35	H16     2.8651    -3.9937    -0.7338	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	2	6	1
6	3	7	1
7	3	8	1
8	4	9	2
9	5	10	1
10	5	11	2
11	6	12	1
12	6	13	1
13	7	14	1
14	7	13	1
15	8	15	1
16	9	16	1
17	9	17	1
18	13	18	1
19	16	19	1
20	3	20	1
21	6	21	1
22	7	22	1
23	8	23	1
24	8	24	1
25	10	25	1
26	11	26	1
27	12	27	1
28	13	28	1
29	14	29	1
30	15	30	1
31	17	31	1
32	18	32	1
33	19	33	1
34	19	34	1
35	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1