@<TRIPOS>MOLECULE
DB04236
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.4663    -3.3874     0.6801	O.3	1	noname	-0.3946
2	C1     3.9879    -2.3414    -0.1262	C.3	1	noname	0.0587
3	C2     3.3333    -1.0166     0.2706	C.3	1	noname	0.0316
4	N1     3.6163    -0.7352     1.6770	N.3	1	noname	-0.3254
5	C3     3.8953     0.1104    -0.5982	C.3	1	noname	0.0259
6	C4     3.2706     1.3745    -0.2196	C.2	1	noname	-0.0352
7	C5     2.1066     1.9315    -0.7454	C.2	1	noname	-0.0327
8	C6     3.7139     2.2823     0.7476	C.2	1	noname	-0.1248
9	C7     1.8659     3.1359    -0.0641	C.2	1	noname	-0.0898
10	C8     1.3117     1.5124    -1.8573	C.2	1	noname	-0.0400
11	N2     2.8516     3.3199     0.8327	N.3	1	noname	-0.0862
12	C9     0.7912     4.0114    -0.4271	C.2	1	noname	-0.0441
13	C10     0.2698     2.4004    -2.2618	C.2	1	noname	-0.0540
14	C11     0.0113     3.6217    -1.5568	C.2	1	noname	-0.0512
15	H1     3.5781    -3.1632     1.6068	H	1	noname	0.2100
16	H2     5.0473    -2.2825     0.1234	H	1	noname	0.0579
17	H3     3.6803    -2.5783    -1.1447	H	1	noname	0.0579
18	H4     2.2497    -1.0772     0.1688	H	1	noname	0.0489
19	H5     4.5715    -0.6380     1.9903	H	1	noname	0.1187
20	H6     2.8565    -0.6380     2.3354	H	1	noname	0.1187
21	H7     4.9533     0.2150    -0.3578	H	1	noname	0.0333
22	H8     3.5863    -0.0807    -1.6259	H	1	noname	0.0333
23	H9     4.6141     2.1928     1.3558	H	1	noname	0.0792
24	H10     1.4904     0.5667    -2.3690	H	1	noname	0.0629
25	H11     2.9308     4.1047     1.4635	H	1	noname	0.1522
26	H12     0.5782     4.9256     0.1269	H	1	noname	0.0642
27	H13    -0.3408     2.1407    -3.1265	H	1	noname	0.0622
28	H14    -0.7993     4.2708    -1.8883	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	3	5	1
5	5	6	1
6	6	7	1
7	6	8	2
8	7	9	2
9	7	10	1
10	8	11	1
11	9	12	1
12	9	11	1
13	10	13	2
14	12	14	2
15	13	14	1
16	1	15	1
17	2	16	1
18	2	17	1
19	3	18	1
20	4	19	1
21	4	20	1
22	5	21	1
23	5	22	1
24	8	23	1
25	10	24	1
26	11	25	1
27	12	26	1
28	13	27	1
29	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1