@<TRIPOS>MOLECULE
DB03250
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.5903     0.5397     0.5598	S.3	1	noname	-0.1558
2	C1     1.4283    -0.6348     0.0027	C.2	1	noname	0.0415
3	C2     2.7474     1.3259    -1.0076	C.2	1	noname	0.0937
4	C3     1.2286    -0.3271    -1.3790	C.2	1	noname	0.0298
5	C4     0.7519    -1.6826     0.6787	C.2	1	noname	-0.0133
6	N1     1.9379     0.7080    -1.8843	N.2	1	noname	-0.2046
7	C5     3.6572     2.4054    -1.3792	C.3	1	noname	0.1381
8	C6     0.3127    -1.0886    -2.1609	C.2	1	noname	-0.0130
9	C7    -0.1662    -2.4323    -0.1180	C.2	1	noname	-0.0494
10	O1     3.2776     3.6240    -0.6540	O.3	1	noname	-0.3596
11	C8     5.0871     1.8278    -1.1219	C.3	1	noname	0.1153
12	C9    -0.3814    -2.1429    -1.5051	C.2	1	noname	-0.0411
13	C10     4.3668     4.5293    -0.3136	C.3	1	noname	0.1102
14	O2     5.9884     2.3475    -2.0883	O.3	1	noname	-0.3870
15	C11     5.5133     2.3068     0.2950	C.3	1	noname	0.1114
16	C12    -1.3348    -2.9485    -2.2623	C.3	1	noname	0.0000
17	C13     5.4525     3.8325     0.5499	C.3	1	noname	0.1110
18	C14     3.8092     5.7359     0.4442	C.3	1	noname	0.0721
19	O3     4.7392     1.6318     1.2756	O.3	1	noname	-0.3874
20	O4     6.7200     4.4095     0.2729	O.3	1	noname	-0.3874
21	O5     2.8676     6.4147    -0.3737	O.3	1	noname	-0.3934
22	H1     0.9249    -1.8962     1.7334	H	1	noname	0.0638
23	H2     3.5501     2.7396    -2.4111	H	1	noname	0.0709
24	H3     0.1498    -0.8736    -3.2170	H	1	noname	0.0648
25	H4    -0.7187    -3.2492     0.3461	H	1	noname	0.0625
26	H5     5.1572     0.7481    -1.2543	H	1	noname	0.0660
27	H6     4.7876     4.8261    -1.2744	H	1	noname	0.0656
28	H7     6.7252     2.7723    -1.6429	H	1	noname	0.2107
29	H8     6.5490     2.0015     0.4440	H	1	noname	0.0657
30	H9    -1.9792    -3.4930    -1.5721	H	1	noname	0.0279
31	H10    -1.9430    -2.2973    -2.8901	H	1	noname	0.0279
32	H11    -0.7941    -3.6568    -2.8901	H	1	noname	0.0279
33	H12     5.2686     4.0232     1.6072	H	1	noname	0.0657
34	H13     3.2401     5.3654     1.2969	H	1	noname	0.0591
35	H14     4.6238     6.4435     0.5986	H	1	noname	0.0591
36	H15     5.0358     1.8904     2.1512	H	1	noname	0.2106
37	H16     7.1663     4.6127     1.0982	H	1	noname	0.2106
38	H17     2.2325     6.8725     0.1819	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	7	3	1
7	4	8	1
8	4	6	1
9	5	9	2
10	7	10	1
11	7	11	1
12	8	12	2
13	9	12	1
14	10	13	1
15	11	14	1
16	11	15	1
17	12	16	1
18	13	17	1
19	13	18	1
20	15	19	1
21	15	17	1
22	17	20	1
23	18	21	1
24	5	22	1
25	7	23	1
26	8	24	1
27	9	25	1
28	11	26	1
29	13	27	1
30	14	28	1
31	15	29	1
32	16	30	1
33	16	31	1
34	16	32	1
35	17	33	1
36	18	34	1
37	18	35	1
38	19	36	1
39	20	37	1
40	21	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1