@<TRIPOS>MOLECULE
DB07057
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0031    -1.8121     1.8238	O.2	1	noname	-0.2741
2	C1    -0.7827    -1.7783     0.8523	C.2	1	noname	0.1348
3	N1    -0.6233    -1.0117    -0.3460	N.3	1	noname	-0.1231
4	C2    -2.0944    -2.5463     0.7180	C.3	1	noname	0.0352
5	C3     0.0192     0.2350    -0.4276	C.2	1	noname	0.0044
6	C4    -1.3110    -1.6944    -1.4009	C.3	1	noname	0.0236
7	C5    -2.0005    -2.9196    -0.7547	C.3	1	noname	0.0667
8	C6     1.1897     0.5154     0.3837	C.2	1	noname	0.0210
9	C7    -0.5407     1.3039    -1.2363	C.2	1	noname	-0.0276
10	C8    -1.1467    -4.0943    -0.9055	C.2	1	noname	0.1373
11	O2     1.7559    -0.4816     1.0963	O.3	1	noname	-0.2792
12	C9     1.7531     1.8250     0.4424	C.2	1	noname	-0.0260
13	C10     0.0144     2.6253    -1.1908	C.2	1	noname	-0.0667
14	O3    -1.6065    -5.1402    -1.4125	O.2	1	noname	-0.2542
15	O4     0.1394    -4.0508    -0.4975	O.3	1	noname	-0.2176
16	C11     1.1432     2.8497    -0.3404	C.2	1	noname	-0.0539
17	H1    -2.0364    -3.4548     1.3174	H	1	noname	0.0370
18	H2    -2.9259    -1.8550     0.8552	H	1	noname	0.0370
19	H3    -2.0804    -1.0083    -1.7549	H	1	noname	0.0448
20	H4    -0.5404    -2.0492    -2.0852	H	1	noname	0.0448
21	H5    -2.9554    -3.1989    -1.1999	H	1	noname	0.0427
22	H6    -1.3923     1.1111    -1.8888	H	1	noname	0.0640
23	H7     1.6542    -0.3025     2.0339	H	1	noname	0.2182
24	H8     2.6221     2.0359     1.0656	H	1	noname	0.0650
25	H9    -0.4092     3.4351    -1.7849	H	1	noname	0.0623
26	H10     0.1709    -4.0497     0.4620	H	1	noname	0.2213
27	H11     1.5608     3.8550    -0.2861	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	5	8	2
8	5	9	1
9	6	7	1
10	7	10	1
11	8	11	1
12	8	12	1
13	9	13	2
14	10	14	2
15	10	15	1
16	12	16	2
17	13	16	1
18	4	17	1
19	4	18	1
20	6	19	1
21	6	20	1
22	7	21	1
23	9	22	1
24	11	23	1
25	12	24	1
26	13	25	1
27	15	26	1
28	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1