@<TRIPOS>MOLECULE
DB01032
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.0374    -1.9925     0.8863	S	1	noname	-0.1112
2	O1     0.1241    -2.2778    -0.1613	O.2	1	noname	-0.1972
3	O2    -0.6601    -2.6444     2.2866	O.2	1	noname	-0.1972
4	N1    -1.2333    -0.2825     1.0796	N.3	1	noname	0.0082
5	C1    -2.5161    -2.6807     0.3095	C.2	1	noname	0.0412
6	C2     0.0782     0.3634     1.0614	C.3	1	noname	0.0162
7	C3    -1.8937    -0.0087     2.3549	C.3	1	noname	0.0162
8	C4    -3.3685    -1.9272    -0.4891	C.2	1	noname	0.0305
9	C5    -2.8519    -3.9873     0.6447	C.2	1	noname	0.0305
10	C6    -0.0948     1.8739     1.2322	C.3	1	noname	-0.0419
11	C7    -3.2662    -0.6846     2.3740	C.3	1	noname	-0.0419
12	C8    -4.5565    -2.4802    -0.9525	C.2	1	noname	0.0185
13	C9    -4.0400    -4.5402     0.1813	C.2	1	noname	0.0185
14	C10     1.2776     2.5499     1.2132	C.3	1	noname	-0.0641
15	C11    -3.9573    -0.3981     3.7086	C.3	1	noname	-0.0641
16	C12    -4.8923    -3.7867    -0.6173	C.2	1	noname	0.0246
17	C13    -6.0804    -4.3397    -1.0808	C.2	1	noname	0.0885
18	O3    -6.3823    -5.5146    -0.7793	O.2	1	noname	-0.2594
19	O4    -6.9082    -3.6078    -1.8564	O.3	1	noname	-0.2189
20	H1     0.6080    -0.0081     1.9386	H	1	noname	0.0445
21	H2     0.4846     0.1896     0.0651	H	1	noname	0.0445
22	H3    -1.2810    -0.4871     3.1191	H	1	noname	0.0445
23	H4    -2.0573     1.0686     2.3831	H	1	noname	0.0445
24	H5    -3.1052    -0.9026    -0.7520	H	1	noname	0.0639
25	H6    -2.1835    -4.5782     1.2710	H	1	noname	0.0639
26	H7    -0.6333     2.2303     0.3540	H	1	noname	0.0277
27	H8    -0.5099     2.0326     2.2275	H	1	noname	0.0277
28	H9    -3.8645    -0.2037     1.6002	H	1	noname	0.0277
29	H10    -3.0882    -1.7593     2.3361	H	1	noname	0.0277
30	H11    -5.2249    -1.8893    -1.5788	H	1	noname	0.0631
31	H12    -4.3032    -5.5648     0.4441	H	1	noname	0.0631
32	H13     1.6150     2.7160     2.2363	H	1	noname	0.0231
33	H14     1.9910     1.9091     0.6949	H	1	noname	0.0231
34	H15     1.2046     3.5060     0.6949	H	1	noname	0.0231
35	H16    -4.2099    -1.3396     4.1964	H	1	noname	0.0231
36	H17    -3.2869     0.1746     4.3493	H	1	noname	0.0231
37	H18    -4.8675     0.1746     3.5308	H	1	noname	0.0231
38	H19    -7.4940    -3.0899    -1.2995	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	1
10	7	11	1
11	8	12	1
12	9	13	2
13	10	14	1
14	11	15	1
15	12	16	2
16	13	16	1
17	16	17	1
18	17	18	2
19	17	19	1
20	6	20	1
21	6	21	1
22	7	22	1
23	7	23	1
24	8	24	1
25	9	25	1
26	10	26	1
27	10	27	1
28	11	28	1
29	11	29	1
30	12	30	1
31	13	31	1
32	14	32	1
33	14	33	1
34	14	34	1
35	15	35	1
36	15	36	1
37	15	37	1
38	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1