@<TRIPOS>MOLECULE
DB00989
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6174    -1.5719     4.4935	O.2	1	noname	-0.2483
2	C1    -0.0210    -1.3799     3.4119	C.2	1	noname	0.0657
3	O2    -0.6931    -1.4730     2.2448	O.3	1	noname	-0.1481
4	N1     1.2854    -1.0817     3.4108	N.3	1	noname	-0.0275
5	C2    -0.0491    -1.2656     1.0766	C.2	1	noname	0.0099
6	C3     1.8497    -0.3821     4.4971	C.3	1	noname	0.0049
7	C4     2.0957    -1.4677     2.3233	C.3	1	noname	-0.0034
8	C5     1.3027    -1.5695     0.9647	C.2	1	noname	-0.0074
9	C6    -0.7377    -0.7483    -0.0144	C.2	1	noname	-0.0162
10	C7     1.7676     1.1227     4.2325	C.3	1	noname	-0.0519
11	C8     1.9658    -1.3561    -0.2381	C.2	1	noname	-0.0341
12	C9    -0.0745    -0.5348    -1.2172	C.2	1	noname	-0.0458
13	C10     1.2772    -0.8387    -1.3291	C.2	1	noname	-0.0527
14	C11     3.3857    -1.6753    -0.3556	C.3	1	noname	0.0315
15	N2     4.1804    -0.5035     0.0089	N.3	1	noname	-0.3026
16	C12     3.7270    -2.8349     0.5823	C.3	1	noname	-0.0453
17	C13     3.8542     0.6046    -0.8873	C.3	1	noname	-0.0130
18	C14     5.6022    -0.8232    -0.1087	C.3	1	noname	-0.0130
19	H1     1.2124    -0.6122     5.3508	H	1	noname	0.0433
20	H2     2.9015    -0.6680     4.5093	H	1	noname	0.0433
21	H3     2.1364    -2.5555     2.2686	H	1	noname	0.0400
22	H4     1.6749    -1.0729     1.3985	H	1	noname	0.0400
23	H5     3.1022    -1.0729     2.4621	H	1	noname	0.0400
24	H6     1.8427    -1.9753     1.8202	H	1	noname	0.0653
25	H7    -1.7977    -0.5100     0.0733	H	1	noname	0.0650
26	H8     1.7385     1.6574     5.1819	H	1	noname	0.0243
27	H9     2.6416     1.4398     3.6636	H	1	noname	0.0243
28	H10     0.8643     1.3428     3.6636	H	1	noname	0.0243
29	H11    -0.6145    -0.1291    -2.0728	H	1	noname	0.0623
30	H12     1.7972    -0.6713    -2.2723	H	1	noname	0.0626
31	H13     3.5939    -1.9184    -1.3975	H	1	noname	0.0515
32	H14     3.6302    -2.5059     1.6170	H	1	noname	0.0250
33	H15     3.0432    -3.6637     0.3991	H	1	noname	0.0250
34	H16     4.7508    -3.1611     0.3991	H	1	noname	0.0250
35	H17     3.5953     1.4843    -0.2981	H	1	noname	0.0394
36	H18     4.7159     0.8291    -1.5160	H	1	noname	0.0394
37	H19     3.0083     0.3264    -1.5160	H	1	noname	0.0394
38	H20     6.0362    -0.9207     0.8864	H	1	noname	0.0394
39	H21     5.7199    -1.7618    -0.6501	H	1	noname	0.0394
40	H22     6.1104    -0.0252    -0.6501	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	1
10	8	11	1
11	9	12	2
12	11	13	2
13	11	14	1
14	12	13	1
15	14	15	1
16	14	16	1
17	15	17	1
18	15	18	1
19	6	19	1
20	6	20	1
21	7	21	1
22	7	22	1
23	7	23	1
24	8	24	1
25	9	25	1
26	10	26	1
27	10	27	1
28	10	28	1
29	12	29	1
30	13	30	1
31	14	31	1
32	16	32	1
33	16	33	1
34	16	34	1
35	17	35	1
36	17	36	1
37	17	37	1
38	18	38	1
39	18	39	1
40	18	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1