@<TRIPOS>MOLECULE
DB07132
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1092     0.3204    -2.0642	O.2	1	noname	-0.2595
2	C1     1.0804     0.4697    -1.3701	C.2	1	noname	0.1284
3	N1     0.4602    -0.4596    -0.5553	N.2	1	noname	-0.1602
4	C2     0.2621     1.6547    -1.2328	C.2	1	noname	0.0893
5	C3    -0.6564    -0.0036    -0.0773	C.2	1	noname	0.0341
6	C4    -0.8344     1.3338    -0.4813	C.2	1	noname	0.0319
7	C5     0.6019     3.0018    -1.6958	C.3	1	noname	0.0254
8	C6    -1.6104    -0.6914     0.7233	C.2	1	noname	-0.0039
9	C7    -1.9934     2.0795    -0.0822	C.2	1	noname	-0.0141
10	C8     1.2827     3.2133    -3.0148	C.2	1	noname	-0.1081
11	C9     1.1654     3.8849    -0.5488	C.3	1	noname	-0.0528
12	C10    -2.7754     0.0323     1.1113	C.2	1	noname	-0.0301
13	C11    -2.9596     1.3989     0.7212	C.2	1	noname	-0.0631
14	N2     0.6221     3.6622    -4.0916	N.3	1	noname	-0.0840
15	C12     2.6313     3.1111    -3.3759	C.2	1	noname	-0.0462
16	N3    -4.0604     2.0519     1.1178	N.3	1	noname	0.0147
17	C13     1.4696     3.8658    -5.1163	C.2	1	noname	-0.1176
18	C14     2.7405     3.5310    -4.6956	C.2	1	noname	-0.0510
19	C15    -4.6503     1.7284     2.2767	C.2	1	noname	-0.0221
20	O2    -5.6772     2.3376     2.6467	O.2	1	noname	-0.2911
21	N4    -4.1393     0.7520     3.0389	N.3	1	noname	-0.0800
22	H1    -0.4010     3.2816    -2.0184	H	1	noname	0.0414
23	H2    -1.4555    -1.7270     1.0260	H	1	noname	0.0646
24	H3    -2.1339     3.1195    -0.3769	H	1	noname	0.0646
25	H4     1.5548     3.2461     0.2439	H	1	noname	0.0240
26	H5     1.9671     4.5142    -0.9351	H	1	noname	0.0240
27	H6     0.3696     4.5142    -0.1502	H	1	noname	0.0240
28	H7    -3.5350    -0.4657     1.7140	H	1	noname	0.0640
29	H8    -0.3742     3.8242    -4.1260	H	1	noname	0.1519
30	H9     3.4492     2.7665    -2.7432	H	1	noname	0.0639
31	H10    -4.4455     2.7879     0.5432	H	1	noname	0.1384
32	H11     1.1811     4.2326    -6.1014	H	1	noname	0.0788
33	H12     3.6526     3.5872    -5.2898	H	1	noname	0.0636
34	H13    -4.7218    -0.0216     3.3262	H	1	noname	0.1285
35	H14    -3.1718     0.7895     3.3262	H	1	noname	0.1285
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	4	6	2
6	4	7	1
7	5	8	1
8	5	6	1
9	6	9	1
10	7	10	1
11	7	11	1
12	8	12	2
13	9	13	2
14	10	14	1
15	10	15	2
16	12	13	1
17	13	16	1
18	14	17	1
19	15	18	1
20	16	19	1
21	17	18	2
22	19	20	2
23	19	21	1
24	7	22	1
25	8	23	1
26	9	24	1
27	11	25	1
28	11	26	1
29	11	27	1
30	12	28	1
31	14	29	1
32	15	30	1
33	16	31	1
34	17	32	1
35	18	33	1
36	21	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1