@<TRIPOS>MOLECULE
DB04075
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.6539    -1.4712     1.1063	O.2	1	noname	-0.2494
2	C1     2.0261    -1.2811     0.0423	C.2	1	noname	0.1440
3	O2     2.1628    -2.1453    -0.9858	O.3	1	noname	-0.2138
4	C2     1.1449    -0.1244    -0.0887	C.3	1	noname	0.1004
5	N1     1.5857     0.6837    -1.1567	N.3	1	noname	-0.0723
6	C3    -0.2830    -0.5998    -0.3644	C.3	1	noname	-0.0184
7	C4     2.4705     1.6650    -0.9335	C.2	1	noname	0.0392
8	C5    -1.2065     0.6124    -0.5017	C.3	1	noname	0.0355
9	O3     2.8613     2.3814    -1.8803	O.2	1	noname	-0.2972
10	C6     2.9781     1.8973     0.4156	C.3	1	noname	0.0095
11	C7    -2.5691     0.1588    -0.7648	C.2	1	noname	0.1348
12	O4    -3.4882     0.9932    -0.9114	O.2	1	noname	-0.2559
13	O5    -2.8364    -1.1617    -0.8497	O.3	1	noname	-0.2189
14	H1     2.1188    -3.0455    -0.6552	H	1	noname	0.2213
15	H2     1.2234     0.4865     0.8106	H	1	noname	0.0578
16	H3     1.2599     0.5567    -2.1042	H	1	noname	0.1318
17	H4    -0.2678    -1.0952    -1.3352	H	1	noname	0.0293
18	H5    -0.6095    -1.1454     0.5209	H	1	noname	0.0293
19	H6    -1.2388     1.1129     0.4661	H	1	noname	0.0373
20	H7    -0.8971     1.1631    -1.3900	H	1	noname	0.0373
21	H8     3.1620     0.9405     0.9043	H	1	noname	0.0324
22	H9     3.9086     2.4624     0.3613	H	1	noname	0.0324
23	H10     2.2427     2.4624     0.9882	H	1	noname	0.0324
24	H11    -2.9110    -1.5305     0.0335	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	11	1
11	11	12	2
12	11	13	1
13	3	14	1
14	4	15	1
15	5	16	1
16	6	17	1
17	6	18	1
18	8	19	1
19	8	20	1
20	10	21	1
21	10	22	1
22	10	23	1
23	13	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1