@<TRIPOS>MOLECULE
DB00890
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.1367    -1.4316    -0.7850	O.3	1	noname	-0.2859
2	C1     1.2791    -0.0902    -0.7321	C.2	1	noname	0.0003
3	C2     1.8848     0.5015     0.3702	C.2	1	noname	-0.0280
4	C3     0.8201     0.6993    -1.7800	C.2	1	noname	-0.0280
5	C4     2.0315     1.8827     0.4247	C.2	1	noname	-0.0373
6	C5     0.9668     2.0805    -1.7255	C.2	1	noname	-0.0373
7	C6     1.5724     2.6722    -0.6232	C.2	1	noname	-0.0528
8	C7     1.7159     4.0235    -0.5699	C.2	1	noname	-0.0419
9	C8     1.7143     4.6466     0.6051	C.2	1	noname	-0.0419
10	C9     1.8579     4.7220    -1.6928	C.2	1	noname	-0.0570
11	C10     1.8578     5.9980     0.6584	C.2	1	noname	-0.0528
12	C11     1.5723     3.9482     1.7280	C.2	1	noname	-0.0570
13	C12     1.8597     4.0520    -2.9562	C.3	1	noname	-0.0460
14	C13     1.8561     6.6492     1.8864	C.2	1	noname	-0.0373
15	C14     2.0062     6.7279    -0.5152	C.2	1	noname	-0.0373
16	C15     1.5706     4.6181     2.9913	C.3	1	noname	-0.0460
17	C16     2.0028     8.0303     1.9408	C.2	1	noname	-0.0280
18	C17     2.1528     8.1091    -0.4607	C.2	1	noname	-0.0280
19	C18     2.1511     8.7603     0.7673	C.2	1	noname	0.0003
20	O2     2.2936    10.1017     0.8202	O.3	1	noname	-0.2859
21	H1     1.0992    -1.7848     0.1069	H	1	noname	0.2181
22	H2     2.2448    -0.1176     1.1920	H	1	noname	0.0650
23	H3     0.3451     0.2353    -2.6444	H	1	noname	0.0650
24	H4     2.5065     2.3466     1.2891	H	1	noname	0.0630
25	H5     0.6068     2.6996    -2.5473	H	1	noname	0.0630
26	H6     1.9684     5.8007    -1.5821	H	1	noname	0.0579
27	H7     1.4618     2.8694     1.6173	H	1	noname	0.0579
28	H8     1.8594     2.9739    -2.7957	H	1	noname	0.0273
29	H9     0.9705     4.3357    -3.5191	H	1	noname	0.0273
30	H10     2.7504     4.3357    -3.5167	H	1	noname	0.0273
31	H11     1.7398     6.0768     2.8067	H	1	noname	0.0630
32	H12     2.0075     6.2173    -1.4782	H	1	noname	0.0630
33	H13     1.5695     3.8804     3.7938	H	1	noname	0.0273
34	H14     2.4605     5.2423     3.0728	H	1	noname	0.0273
35	H15     0.6805     5.2423     3.0704	H	1	noname	0.0273
36	H16     2.0014     8.5410     2.9038	H	1	noname	0.0650
37	H17     2.2692     8.6815    -1.3810	H	1	noname	0.0650
38	H18     2.3236    10.3844     1.7371	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	1
10	8	10	2
11	9	11	1
12	9	12	2
13	10	13	1
14	11	14	2
15	11	15	1
16	12	16	1
17	14	17	1
18	15	18	2
19	17	19	2
20	18	19	1
21	19	20	1
22	1	21	1
23	3	22	1
24	4	23	1
25	5	24	1
26	6	25	1
27	10	26	1
28	12	27	1
29	13	28	1
30	13	29	1
31	13	30	1
32	14	31	1
33	15	32	1
34	16	33	1
35	16	34	1
36	16	35	1
37	17	36	1
38	18	37	1
39	20	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1