@<TRIPOS>MOLECULE
DB01168
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5421    -1.6451     0.2793	O.2	1	noname	-0.2962
2	C1    -0.4663    -1.0606     0.0274	C.2	1	noname	0.0116
3	N1     0.6763    -1.7578    -0.0356	N.3	1	noname	-0.0762
4	C2    -0.4553     0.3127    -0.1874	C.2	1	noname	-0.0107
5	C3     0.8365    -2.9207     0.7454	C.3	1	noname	0.0087
6	C4     0.7410     0.9627    -0.4675	C.2	1	noname	-0.0155
7	C5    -1.6405     1.0359    -0.1220	C.2	1	noname	-0.0155
8	C6     2.2201    -3.5211     0.4883	C.3	1	noname	-0.0496
9	C7     0.7034    -2.5624     2.2269	C.3	1	noname	-0.0496
10	C8     0.7521     2.3360    -0.6823	C.2	1	noname	-0.0373
11	C9    -1.6295     2.4092    -0.3368	C.2	1	noname	-0.0373
12	C10    -0.4332     3.0592    -0.6169	C.2	1	noname	-0.0314
13	C11    -0.4216     4.5016    -0.8425	C.3	1	noname	0.0351
14	N2    -0.2158     5.1922     0.4296	N.3	1	noname	-0.2554
15	N3    -0.2047     6.5694     0.2143	N.3	1	noname	-0.2586
16	C12     0.0010     7.2600     1.4864	C.3	1	noname	-0.0014
17	H1     1.3971    -1.4160    -0.6550	H	1	noname	0.1316
18	H2     0.0413    -3.5924     0.4221	H	1	noname	0.0463
19	H3     1.6704     0.3956    -0.5188	H	1	noname	0.0630
20	H4    -2.5786     0.5262     0.0977	H	1	noname	0.0630
21	H5     2.7071    -3.7324     1.4402	H	1	noname	0.0246
22	H6     2.1152    -4.4457    -0.0793	H	1	noname	0.0246
23	H7     2.8237    -2.8129    -0.0793	H	1	noname	0.0246
24	H8     0.6502    -3.4764     2.8184	H	1	noname	0.0246
25	H9     1.5689    -1.9778     2.5385	H	1	noname	0.0246
26	H10    -0.2039    -1.9778     2.3792	H	1	noname	0.0246
27	H11     1.6901     2.8457    -0.9019	H	1	noname	0.0626
28	H12    -2.5589     2.9763    -0.2855	H	1	noname	0.0626
29	H13     0.4495     4.7158    -1.4618	H	1	noname	0.0493
30	H14    -1.4180     4.7732    -1.1908	H	1	noname	0.0493
31	H15    -0.0966     4.7718     1.3402	H	1	noname	0.1415
32	H16    -0.3239     6.9898    -0.6963	H	1	noname	0.1408
33	H17     0.1297     6.5258     2.2817	H	1	noname	0.0406
34	H18     0.8920     7.8845     1.4208	H	1	noname	0.0406
35	H19    -0.8651     7.8845     1.7050	H	1	noname	0.0406
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	5	9	1
9	6	10	1
10	7	11	2
11	10	12	2
12	11	12	1
13	12	13	1
14	13	14	1
15	14	15	1
16	15	16	1
17	3	17	1
18	5	18	1
19	6	19	1
20	7	20	1
21	8	21	1
22	8	22	1
23	8	23	1
24	9	24	1
25	9	25	1
26	9	26	1
27	10	27	1
28	11	28	1
29	13	29	1
30	13	30	1
31	14	31	1
32	15	32	1
33	16	33	1
34	16	34	1
35	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1