@<TRIPOS>MOLECULE
DB04035
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.9123     0.9914     2.0730	S.3	1	noname	-0.1832
2	C1    -1.6971     1.1064     3.3367	C.2	1	noname	0.0986
3	C2    -2.6714     2.5673     1.3329	C.2	1	noname	0.0500
4	N1    -1.1471     2.3321     3.1068	N.2	1	noname	-0.2161
5	N2    -1.4417     0.1790     4.2878	N.3	1	noname	-0.0904
6	C3    -1.6019     3.1266     2.0663	C.2	1	noname	0.0598
7	C4    -1.0361     4.3957     1.7459	C.2	1	noname	0.1153
8	N3    -0.0994     4.8239     2.5403	N.2	1	noname	-0.1571
9	C5    -1.4050     5.1390     0.6208	C.2	1	noname	0.0666
10	O1     0.7421     5.8286     2.5166	O.3	1	noname	-0.1805
11	O2    -1.6268     6.3648     0.6982	O.2	1	noname	-0.2797
12	N4    -1.6002     4.5694    -0.5825	N.3	1	noname	-0.0654
13	C6     0.2375     7.1477     2.8238	C.3	1	noname	0.1776
14	C7    -1.9718     5.3638    -1.6865	C.3	1	noname	0.0388
15	C8     1.3268     8.1165     2.7425	C.2	1	noname	0.1528
16	C9    -0.3461     7.1538     4.2381	C.3	1	noname	-0.0236
17	C10    -0.8545     7.5226     1.8198	C.3	1	noname	-0.0236
18	B1    -3.4192     4.8536    -2.2646	B	1	noname	0.1871
19	O3     1.2591     9.0665     1.9330	O.2	1	noname	-0.2432
20	O4     2.4070     7.9862     3.5417	O.3	1	noname	-0.2090
21	O5    -4.4787     4.9773    -1.1677	O.3	1	noname	-0.2876
22	O6    -3.8224     5.7156    -3.4626	O.3	1	noname	-0.2876
23	H1    -3.1292     3.1289     0.5186	H	1	noname	0.0764
24	H2    -2.1896    -0.3995     4.6428	H	1	noname	0.1266
25	H3    -0.5031     0.0650     4.6428	H	1	noname	0.1266
26	H4    -1.4709     3.5703    -0.6552	H	1	noname	0.1307
27	H5    -2.0834     6.3642    -1.2685	H	1	noname	0.0399
28	H6    -1.1979     5.1664    -2.4284	H	1	noname	0.0399
29	H7    -0.4863     6.1277     4.5778	H	1	noname	0.0266
30	H8     0.3388     7.6691     4.9115	H	1	noname	0.0266
31	H9    -1.3066     7.6691     4.2326	H	1	noname	0.0266
32	H10    -1.7515     7.8306     2.3569	H	1	noname	0.0266
33	H11    -0.5059     8.3439     1.1937	H	1	noname	0.0266
34	H12    -1.0839     6.6604     1.1937	H	1	noname	0.0266
35	H13     2.1311     8.0195     4.4606	H	1	noname	0.2214
36	H14    -4.7511     4.1010    -0.8857	H	1	noname	0.1898
37	H15    -4.0694     5.1482    -4.1965	H	1	noname	0.1898
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	4	6	1
7	6	7	1
8	7	8	2
9	7	9	1
10	8	10	1
11	9	11	2
12	9	12	1
13	10	13	1
14	12	14	1
15	13	15	1
16	13	16	1
17	13	17	1
18	14	18	1
19	15	19	2
20	15	20	1
21	18	21	1
22	18	22	1
23	3	23	1
24	5	24	1
25	5	25	1
26	12	26	1
27	14	27	1
28	14	28	1
29	16	29	1
30	16	30	1
31	16	31	1
32	17	32	1
33	17	33	1
34	17	34	1
35	20	35	1
36	21	36	1
37	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1