@<TRIPOS>MOLECULE
DB01143
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.7720    -1.4425     0.0000	S.3	1	noname	0.0395
2	P1     4.4120    -3.2527     0.0000	P	1	noname	0.0049
3	C1     1.9720    -1.4425     0.0000	C.3	1	noname	0.0196
4	O1     5.8520    -3.2527     0.0000	O.2	1	noname	-0.2223
5	O2     3.8987    -3.9787    -1.2574	O.3	1	noname	-0.1858
6	O3     3.8987    -3.9787     1.2574	O.3	1	noname	-0.1858
7	C2     1.4620     0.0000     0.0000	C.3	1	noname	0.0051
8	N1     0.0000     0.0000     0.0000	N.3	1	noname	-0.3158
9	C3    -0.4873     1.3784     0.0000	C.3	1	noname	-0.0036
10	C4    -2.0173     1.3784     0.0000	C.3	1	noname	-0.0283
11	C5    -2.5273     2.8209     0.0000	C.3	1	noname	-0.0064
12	N2    -3.9893     2.8209     0.0000	N.3	1	noname	-0.3304
13	H1     1.6087    -1.8487    -0.9440	H	1	noname	0.0401
14	H2     1.6087    -1.8487     0.9440	H	1	noname	0.0401
15	H3     3.9533    -4.9277    -1.1237	H	1	noname	0.2268
16	H4     3.9533    -4.9277     1.1237	H	1	noname	0.2268
17	H5     1.7622     0.4549     0.9440	H	1	noname	0.0436
18	H6     1.7622     0.4549    -0.9440	H	1	noname	0.0436
19	H7    -0.5831    -0.8247     0.0000	H	1	noname	0.1222
20	H8    -0.1585     1.8130     0.9440	H	1	noname	0.0428
21	H9    -0.1585     1.8130    -0.9440	H	1	noname	0.0428
22	H10    -2.3320     0.9334    -0.9440	H	1	noname	0.0292
23	H11    -2.3320     0.9334     0.9440	H	1	noname	0.0292
24	H12    -2.2271     3.2758     0.9440	H	1	noname	0.0426
25	H13    -2.2271     3.2758    -0.9440	H	1	noname	0.0426
26	H14    -4.4943     3.6956     0.0000	H	1	noname	0.1184
27	H15    -4.4943     1.9462     0.0000	H	1	noname	0.1184
@<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	7	8	1
8	8	9	1
9	9	10	1
10	10	11	1
11	11	12	1
12	3	13	1
13	3	14	1
14	5	15	1
15	6	16	1
16	7	17	1
17	7	18	1
18	8	19	1
19	9	20	1
20	9	21	1
21	10	22	1
22	10	23	1
23	11	24	1
24	11	25	1
25	12	26	1
26	12	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1