@<TRIPOS>MOLECULE
DB04159
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.6748    -1.8968     1.3200	O.2	1	noname	-0.2486
2	C1     3.5657    -1.3266     1.4059	C.2	1	noname	0.1452
3	O2     3.3213    -0.4758     2.4251	O.3	1	noname	-0.2132
4	C2     2.5347    -1.5808     0.4039	C.3	1	noname	0.1218
5	N1     1.3505    -2.1396     1.0541	N.3	1	noname	-0.3170
6	C3     2.1640    -0.2688    -0.2906	C.3	1	noname	0.1056
7	O3     3.3143     0.2739    -0.9221	O.3	1	noname	-0.3860
8	C4     1.1330    -0.5230    -1.2925	C.2	1	noname	-0.0194
9	C5     1.3220    -0.8513    -2.6335	C.2	1	noname	-0.0257
10	C6    -0.2531    -0.4884    -1.1093	C.2	1	noname	-0.0969
11	C7     0.0541    -1.0341    -3.2094	C.2	1	noname	-0.0866
12	C8     2.5234    -0.8859    -3.4076	C.2	1	noname	-0.0380
13	N2    -0.8770    -0.8105    -2.2646	N.3	1	noname	-0.0741
14	C9    -0.1136    -1.2904    -4.6093	C.2	1	noname	-0.0438
15	C10     2.3666    -1.0892    -4.8118	C.2	1	noname	-0.0538
16	C11     1.0748    -1.2935    -5.3992	C.2	1	noname	-0.0511
17	H1     3.1304    -0.9769     3.2214	H	1	noname	0.2213
18	H2     2.9192    -2.3200    -0.2989	H	1	noname	0.0603
19	H3     0.5682    -1.5415     1.2787	H	1	noname	0.1192
20	H4     1.3146    -3.1236     1.2787	H	1	noname	0.1192
21	H5     1.8015     0.4886     0.4044	H	1	noname	0.0674
22	H6     3.9375     0.5679    -0.2537	H	1	noname	0.2110
23	H7    -0.7787    -0.2424    -0.1866	H	1	noname	0.0793
24	H8     3.5059    -0.7640    -2.9517	H	1	noname	0.0629
25	H9    -1.8759    -0.8738    -2.3998	H	1	noname	0.1522
26	H10    -1.0936    -1.4733    -5.0500	H	1	noname	0.0642
27	H11     3.2513    -1.0883    -5.4486	H	1	noname	0.0622
28	H12     0.9942    -1.4553    -6.4741	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	6	8	1
8	8	9	1
9	8	10	2
10	9	11	2
11	9	12	1
12	10	13	1
13	11	14	1
14	11	13	1
15	12	15	2
16	14	16	2
17	15	16	1
18	3	17	1
19	4	18	1
20	5	19	1
21	5	20	1
22	6	21	1
23	7	22	1
24	10	23	1
25	12	24	1
26	13	25	1
27	14	26	1
28	15	27	1
29	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1