@<TRIPOS>MOLECULE
DB03365
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.8546     0.9934     2.0082	O.3	1	noname	-0.2629
2	C1     1.6500     0.9686     1.3991	C.2	1	noname	0.0600
3	C2     2.8262     0.1468     3.1479	C.3	1	noname	0.0424
4	C3     0.6506     1.9164     1.7881	C.2	1	noname	0.0453
5	C4     1.4045     0.0032     0.3880	C.2	1	noname	0.0378
6	O2     0.9377     2.8129     2.7558	O.3	1	noname	-0.2654
7	C5    -0.6359     1.9401     1.1840	C.2	1	noname	0.0264
8	C6     0.1185     0.0103    -0.2312	C.2	1	noname	0.0462
9	C7     1.4891     3.9825     2.1690	C.3	1	noname	0.0424
10	C8    -0.8870     0.9801     0.1752	C.2	1	noname	-0.0127
11	N1    -0.1570    -0.9029    -1.2087	N.2	1	noname	-0.2520
12	C9    -2.1393     0.9342    -0.4766	C.2	1	noname	0.0373
13	C10    -1.3768    -0.9198    -1.8178	C.2	1	noname	0.0406
14	N2    -2.3298    -0.0098    -1.4411	N.2	1	noname	-0.2423
15	N3    -3.1141     1.7957    -0.1553	N.3	1	noname	0.0054
16	C11    -4.1850     1.1170     0.2784	C.2	1	noname	-0.0226
17	C12    -5.3291     1.8014     0.6718	C.2	1	noname	-0.0305
18	C13    -4.1518    -0.2715     0.3349	C.2	1	noname	-0.0697
19	C14    -6.4400     1.0974     1.1216	C.2	1	noname	-0.0038
20	C15    -5.2627    -0.9755     0.7848	C.2	1	noname	-0.0539
21	O3    -7.5511     1.7621     1.5037	O.3	1	noname	-0.2855
22	C16    -6.4068    -0.2911     1.1781	C.2	1	noname	-0.0544
23	H1     2.8342    -0.8948     2.8270	H	1	noname	0.0535
24	H2     3.7011     0.3427     3.7679	H	1	noname	0.0535
25	H3     1.9217     0.3427     3.7236	H	1	noname	0.0535
26	H4     2.1723    -0.7145     0.0989	H	1	noname	0.0674
27	H5    -1.3962     2.6625     1.4812	H	1	noname	0.0659
28	H6     1.8112     4.6659     2.9546	H	1	noname	0.0535
29	H7     2.3446     3.7102     1.5509	H	1	noname	0.0535
30	H8     0.7346     4.4692     1.5509	H	1	noname	0.0535
31	H9    -1.5876    -1.6523    -2.5969	H	1	noname	0.1062
32	H10    -3.0513     2.8011    -0.2286	H	1	noname	0.1357
33	H11    -5.3551     2.8902     0.6275	H	1	noname	0.0666
34	H12    -3.2547    -0.8082     0.0264	H	1	noname	0.0639
35	H13    -5.2367    -2.0643     0.8291	H	1	noname	0.0624
36	H14    -7.5947     1.7882     2.4623	H	1	noname	0.2181
37	H15    -7.2779    -0.8431     1.5309	H	1	noname	0.0650
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	4	6	1
6	4	7	2
7	5	8	1
8	6	9	1
9	7	10	1
10	8	11	2
11	8	10	1
12	10	12	2
13	11	13	1
14	12	14	1
15	12	15	1
16	13	14	2
17	15	16	1
18	16	17	2
19	16	18	1
20	17	19	1
21	18	20	2
22	19	21	1
23	19	22	2
24	20	22	1
25	3	23	1
26	3	24	1
27	3	25	1
28	5	26	1
29	7	27	1
30	9	28	1
31	9	29	1
32	9	30	1
33	13	31	1
34	15	32	1
35	17	33	1
36	18	34	1
37	20	35	1
38	21	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1