@<TRIPOS>MOLECULE
DB07073
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.7934    -0.0352    -0.4295	S.3	1	noname	-0.1627
2	C1     1.6842     1.6724    -0.8711	C.2	1	noname	0.1141
3	C2     0.3333    -0.0203     0.5302	C.2	1	noname	0.0548
4	N1     0.5681     2.1788    -0.3093	N.2	1	noname	-0.2168
5	N2     2.6355     2.4390    -1.4222	N.3	1	noname	-0.0656
6	C3    -0.3756    -1.1428     1.1920	C.2	1	noname	0.1264
7	C4    -0.1470     1.3015     0.4321	C.2	1	noname	0.0694
8	C5     2.4648     3.1575    -2.6750	C.3	1	noname	0.0289
9	C6     3.7786     2.6739    -0.5890	C.3	1	noname	0.0289
10	O1     0.1494    -2.0984     1.8033	O.2	1	noname	-0.2879
11	C7    -1.9000    -0.9023     0.9789	C.3	1	noname	0.0172
12	C8    -1.4300     1.7304     1.0155	C.3	1	noname	-0.0032
13	C9     3.0108     4.6110    -2.6410	C.3	1	noname	0.0599
14	C10     3.8740     4.2054    -0.2577	C.3	1	noname	0.0599
15	C11    -2.4094     0.5493     1.2847	C.3	1	noname	-0.0225
16	O2     3.5073     5.0921    -1.3459	O.3	1	noname	-0.3786
17	C12    -3.7230     0.7962     0.5403	C.3	1	noname	-0.0591
18	C13    -2.7264     0.6324     2.7792	C.3	1	noname	-0.0591
19	H1     3.0700     2.6046    -3.3934	H	1	noname	0.0459
20	H2     1.3851     3.2239    -2.8087	H	1	noname	0.0459
21	H3     3.5741     2.1351     0.3361	H	1	noname	0.0459
22	H4     4.6390     2.4010    -1.1999	H	1	noname	0.0459
23	H5    -2.0685    -1.0528    -0.0874	H	1	noname	0.0356
24	H6    -2.3968    -1.5456     1.7053	H	1	noname	0.0356
25	H7    -1.1689     2.1553     1.9847	H	1	noname	0.0338
26	H8    -1.8894     2.3576     0.2515	H	1	noname	0.0338
27	H9     3.8905     4.6244    -3.2846	H	1	noname	0.0580
28	H10     2.1651     5.2627    -2.8603	H	1	noname	0.0580
29	H11     3.1324     4.4134     0.5136	H	1	noname	0.0580
30	H12     4.9254     4.4295    -0.0775	H	1	noname	0.0580
31	H13    -4.5264     0.9472     1.2613	H	1	noname	0.0236
32	H14    -3.6249     1.6833    -0.0854	H	1	noname	0.0236
33	H15    -3.9537    -0.0660    -0.0854	H	1	noname	0.0236
34	H16    -2.8133    -0.3740     3.1887	H	1	noname	0.0236
35	H17    -1.9253     1.1652     3.2915	H	1	noname	0.0236
36	H18    -3.6665     1.1652     2.9221	H	1	noname	0.0236
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	2
7	4	7	1
8	5	8	1
9	5	9	1
10	6	10	2
11	6	11	1
12	7	12	1
13	8	13	1
14	9	14	1
15	11	15	1
16	12	15	1
17	13	16	1
18	14	16	1
19	15	17	1
20	15	18	1
21	8	19	1
22	8	20	1
23	9	21	1
24	9	22	1
25	11	23	1
26	11	24	1
27	12	25	1
28	12	26	1
29	13	27	1
30	13	28	1
31	14	29	1
32	14	30	1
33	17	31	1
34	17	32	1
35	17	33	1
36	18	34	1
37	18	35	1
38	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1