@<TRIPOS>MOLECULE
DB02224
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.3514    -0.4109    -0.9232	O.2	1	noname	-0.2816
2	C1     1.1780     0.1508    -0.1723	C.2	1	noname	0.1260
3	C2     1.3209    -0.1758     1.2643	C.2	1	noname	0.0203
4	C3     2.1637     1.2702    -0.6630	C.3	1	noname	0.1479
5	C4     1.4367     0.9293     2.1419	C.2	1	noname	0.0566
6	C5     1.6701    -1.4487     1.6999	C.2	1	noname	0.0552
7	O2     3.4927     0.7701    -0.6487	O.3	1	noname	-0.3817
8	C6     2.0571     2.5037     0.3074	C.3	1	noname	0.1227
9	O3     1.4500     2.2355     1.6246	O.3	1	noname	-0.2564
10	C7     1.5956     0.7193     3.5067	C.2	1	noname	-0.0040
11	O4     1.5597    -2.5024     0.8632	O.3	1	noname	-0.2751
12	C8     2.1330    -1.6368     2.9970	C.2	1	noname	-0.0051
13	C9     1.3278     3.5817    -0.3542	C.2	1	noname	-0.0447
14	C10     1.9643    -0.5788     3.9413	C.2	1	noname	0.0342
15	C11     1.9402     4.8130    -0.5566	C.2	1	noname	-0.0114
16	C12     0.0212     3.3768    -0.7816	C.2	1	noname	-0.0514
17	O5     2.1572    -0.8162     5.2561	O.3	1	noname	-0.2807
18	C13     1.2460     5.8394    -1.1864	C.2	1	noname	0.0256
19	C14    -0.6731     4.4031    -1.4114	C.2	1	noname	-0.0208
20	O6     1.8407     7.0353    -1.3830	O.3	1	noname	-0.2759
21	C15    -0.0607     5.6344    -1.6139	C.2	1	noname	0.0226
22	O7    -0.7350     6.6312    -2.2256	O.3	1	noname	-0.2762
23	H1     1.9967     1.5427    -1.7051	H	1	noname	0.0719
24	H2     3.7836     0.6607     0.2596	H	1	noname	0.2112
25	H3     3.0587     2.8488     0.5637	H	1	noname	0.0693
26	H4     1.4375     1.5390     4.2075	H	1	noname	0.0677
27	H5     1.4751    -3.3101     1.3751	H	1	noname	0.2182
28	H6     2.6108    -2.5794     3.2639	H	1	noname	0.0677
29	H7     2.9649     4.9738    -0.2214	H	1	noname	0.0654
30	H8    -0.4591     2.4112    -0.6229	H	1	noname	0.0627
31	H9     2.1798    -1.7635     5.4103	H	1	noname	0.2181
32	H10    -1.6978     4.2424    -1.7466	H	1	noname	0.0651
33	H11     2.0404     7.4367    -0.5342	H	1	noname	0.2183
34	H12    -1.1246     7.2072    -1.5637	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	1
11	6	12	2
12	8	13	1
13	8	9	1
14	10	14	2
15	12	14	1
16	13	15	2
17	13	16	1
18	14	17	1
19	15	18	1
20	16	19	2
21	18	20	1
22	18	21	2
23	19	21	1
24	21	22	1
25	4	23	1
26	7	24	1
27	8	25	1
28	10	26	1
29	11	27	1
30	12	28	1
31	15	29	1
32	16	30	1
33	17	31	1
34	19	32	1
35	20	33	1
36	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1