@<TRIPOS>MOLECULE
DB04058
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.1407    -3.5846     0.5144	O.2	1	noname	-0.2942
2	C1    -3.0354    -3.0165     0.6487	C.2	1	noname	-0.0411
3	N1    -2.9056    -1.7205     0.3340	N.3	1	noname	-0.0651
4	N2    -1.9803    -3.7035     1.1075	N.3	1	noname	-0.0826
5	C2    -1.6588    -1.0797     0.4855	C.3	1	noname	0.1051
6	C3    -1.7928     0.0298     1.4250	C.2	1	noname	0.1442
7	C4    -1.1914    -0.5463    -0.8702	C.3	1	noname	-0.0023
8	O2    -1.1154     0.0446     2.4754	O.2	1	noname	-0.2493
9	O3    -2.6484     1.0397     1.1593	O.3	1	noname	-0.2137
10	C5     0.0996     0.1173    -0.7133	C.2	1	noname	-0.0540
11	C6     1.2762    -0.6092    -0.8550	C.2	1	noname	-0.0566
12	C7     0.1521     1.4755    -0.4223	C.2	1	noname	-0.0566
13	C8     2.5053     0.0226    -0.7056	C.2	1	noname	-0.0604
14	C9     1.3812     2.1072    -0.2729	C.2	1	noname	-0.0604
15	C10     2.5578     1.3808    -0.4146	C.2	1	noname	-0.0616
16	H1    -3.7252    -1.2397    -0.0082	H	1	noname	0.1332
17	H2    -2.0600    -4.6954     1.2804	H	1	noname	0.1285
18	H3    -1.1054    -3.2294     1.2804	H	1	noname	0.1285
19	H4    -0.9814    -1.8227     0.9065	H	1	noname	0.0582
20	H5    -1.0106    -1.4047    -1.5171	H	1	noname	0.0337
21	H6    -1.8920     0.2300    -1.1779	H	1	noname	0.0337
22	H7    -2.9664     1.4150     1.9837	H	1	noname	0.2213
23	H8     1.2350    -1.6742    -1.0832	H	1	noname	0.0625
24	H9    -0.7705     2.0451    -0.3112	H	1	noname	0.0625
25	H10     3.4279    -0.5471    -0.8167	H	1	noname	0.0622
26	H11     1.4224     3.1722    -0.0447	H	1	noname	0.0622
27	H12     3.5216     1.8761    -0.2975	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	5	3	1
5	5	6	1
6	5	7	1
7	6	8	2
8	6	9	1
9	7	10	1
10	10	11	2
11	10	12	1
12	11	13	1
13	12	14	2
14	13	15	2
15	14	15	1
16	3	16	1
17	4	17	1
18	4	18	1
19	5	19	1
20	7	20	1
21	7	21	1
22	9	22	1
23	11	23	1
24	12	24	1
25	13	25	1
26	14	26	1
27	15	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1