@<TRIPOS>MOLECULE
DB02816
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.2320    -3.0239    -0.0941	S.3	1	noname	-0.1075
2	C1     0.8157    -2.8059    -1.4387	C.2	1	noname	0.0156
3	C2    -0.9703    -1.4143     0.4329	C.3	1	noname	0.0835
4	C3     0.6324    -1.9556    -2.4603	C.2	1	noname	0.0151
5	C4    -1.5675    -0.6073    -0.6375	C.2	1	noname	0.0353
6	C5    -1.9067    -1.6188     1.5885	C.2	1	noname	0.0708
7	N1    -0.3107    -1.0524    -2.6738	N.3	1	noname	-0.0223
8	C6     1.5727    -2.0353    -3.4396	C.2	1	noname	0.0984
9	C7    -1.2587    -0.4833    -1.9360	C.2	1	noname	-0.0706
10	C8    -2.6010     0.1345    -0.2495	C.2	1	noname	0.1013
11	N2    -2.5212    -0.6600     2.3097	N.2	1	noname	-0.1511
12	C9    -2.2694    -2.8063     2.2286	C.2	1	noname	-0.0162
13	O1     1.4991    -1.2883    -4.4391	O.2	1	noname	-0.2532
14	O2     2.5856    -2.9213    -3.3323	O.3	1	noname	-0.2144
15	O3    -3.4921     0.3998    -1.0393	O.2	1	noname	-0.3024
16	N3    -3.1723    -1.2057     3.2925	N.2	1	noname	-0.2147
17	N4    -3.0394    -2.4915     3.2753	N.3	1	noname	0.0227
18	C10    -3.6048    -3.3986     4.1949	C.3	1	noname	-0.0249
19	H1     1.7600    -3.2907    -1.6864	H	1	noname	0.0716
20	H2    -0.3316    -0.6055     0.7878	H	1	noname	0.0540
21	H3    -0.3057    -0.7179    -3.6267	H	1	noname	0.1338
22	H4    -1.8939     0.2054    -2.4930	H	1	noname	0.0757
23	H5    -2.7223     0.5406     0.7547	H	1	noname	0.1095
24	H6    -1.9933    -3.8241     1.9531	H	1	noname	0.0829
25	H7     2.7716    -3.0840    -2.4046	H	1	noname	0.2217
26	H8    -3.3960    -3.0636     5.2109	H	1	noname	0.0454
27	H9    -4.6830    -3.4460     4.0423	H	1	noname	0.0454
28	H10    -3.1724    -4.3875     4.0423	H	1	noname	0.0454
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	2
9	5	10	1
10	6	11	1
11	6	12	2
12	7	9	1
13	8	13	2
14	8	14	1
15	10	15	2
16	11	16	2
17	12	17	1
18	16	17	1
19	17	18	1
20	2	19	1
21	3	20	1
22	7	21	1
23	9	22	1
24	10	23	1
25	12	24	1
26	14	25	1
27	18	26	1
28	18	27	1
29	18	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1