@<TRIPOS>MOLECULE
DB04061
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9968     4.0236    -2.5641	O.2	1	noname	-0.2495
2	C1     1.1480     2.7832    -2.5321	C.2	1	noname	0.1438
3	O2     0.8053     2.0336    -3.6013	O.3	1	noname	-0.2139
4	C2     1.6952     2.1451    -1.3384	C.3	1	noname	0.0947
5	N1     2.9279     1.4394    -1.6847	N.3	1	noname	-0.3192
6	C3     0.6768     1.1489    -0.7803	C.3	1	noname	-0.0084
7	C4     1.2551     0.4745     0.4813	C.3	1	noname	-0.0224
8	C5    -0.6110     1.8993    -0.3807	C.3	1	noname	-0.0224
9	C6     0.0943     0.4443     1.3631	C.2	1	noname	-0.0497
10	C7    -0.9582     1.2494     0.8773	C.2	1	noname	-0.0497
11	C8    -0.0124    -0.2720     2.5859	C.2	1	noname	-0.0554
12	C9    -2.1838     1.3872     1.5830	C.2	1	noname	-0.0554
13	C10    -1.2618    -0.1896     3.2766	C.2	1	noname	-0.0599
14	C11    -2.3274     0.6254     2.7847	C.2	1	noname	-0.0599
15	H1     0.8775     1.1032    -3.3762	H	1	noname	0.2213
16	H2     1.9395     2.9256    -0.6179	H	1	noname	0.0574
17	H3     2.9191     0.4365    -1.8043	H	1	noname	0.1191
18	H4     3.7882     1.9547    -1.8043	H	1	noname	0.1191
19	H5     0.4622     0.4041    -1.5467	H	1	noname	0.0331
20	H6     1.5171    -0.5574     0.2475	H	1	noname	0.0319
21	H7     1.9944     1.1354     0.9337	H	1	noname	0.0319
22	H8    -0.3658     2.9376    -0.1574	H	1	noname	0.0319
23	H9    -1.3979     1.6674    -1.0984	H	1	noname	0.0319
24	H10     0.8222    -0.8555     2.9745	H	1	noname	0.0625
25	H11    -2.9743     2.0445     1.2207	H	1	noname	0.0625
26	H12    -1.4046    -0.7586     4.1952	H	1	noname	0.0622
27	H13    -3.2667     0.6666     3.3362	H	1	noname	0.0622
@<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	7	9	1
9	8	10	1
10	9	11	1
11	9	10	2
12	10	12	1
13	11	13	2
14	12	14	2
15	13	14	1
16	3	15	1
17	4	16	1
18	5	17	1
19	5	18	1
20	6	19	1
21	7	20	1
22	7	21	1
23	8	22	1
24	8	23	1
25	11	24	1
26	12	25	1
27	13	26	1
28	14	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1