@<TRIPOS>MOLECULE
DB04567
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7747    -0.3670     0.8907	O.2	1	noname	-0.2775
2	C1    -0.0613     0.2035     0.0349	C.2	1	noname	0.0803
3	N1     1.1747    -0.1515    -0.4426	N.3	1	noname	0.0611
4	C2    -0.3647     1.3779    -0.5729	C.2	1	noname	0.0730
5	C3     1.5446     0.7608    -1.3445	C.2	1	noname	0.0068
6	C4     1.9421    -1.2666    -0.0060	C.3	1	noname	0.0985
7	N2     0.6093     1.6205    -1.3600	N.2	1	noname	-0.1989
8	C5    -1.4393     2.1953    -0.4274	C.2	1	noname	0.0171
9	C6     2.6965     0.9564    -2.2307	C.3	1	noname	0.0844
10	C7     2.8181    -0.8977     1.1114	C.2	1	noname	0.1427
11	C8    -1.7004     3.4089    -1.0791	C.2	1	noname	-0.0545
12	N3     3.4330     2.1746    -1.8808	N.3	1	noname	-0.3197
13	C9     3.7071    -0.1997    -2.4302	C.3	1	noname	0.0731
14	O2     2.9392    -1.7130     2.0566	O.2	1	noname	-0.2504
15	O3     3.5083     0.2770     1.0926	O.3	1	noname	-0.2146
16	C10    -2.9205     4.1095    -0.7700	C.2	1	noname	-0.0349
17	C11    -0.7733     3.9367    -2.0422	C.2	1	noname	-0.0349
18	O4     4.5906    -0.3795    -1.3283	O.3	1	noname	-0.3912
19	C12     4.5214     0.0485    -3.7016	C.3	1	noname	-0.0370
20	C13    -3.2046     5.3418    -1.4325	C.2	1	noname	-0.0280
21	C14    -1.0305     5.1475    -2.7075	C.2	1	noname	-0.0280
22	C15    -2.2390     5.8157    -2.3831	C.2	1	noname	0.0037
23	O5    -2.4195     6.9675    -3.0566	O.3	1	noname	-0.2858
24	H1     1.2238    -1.9911     0.3779	H	1	noname	0.0548
25	H2     2.5879    -1.5306    -0.8435	H	1	noname	0.0548
26	H3    -2.1746     1.8372     0.2932	H	1	noname	0.0653
27	H4     2.1572     1.0771    -3.1702	H	1	noname	0.0568
28	H5     4.4352     2.1418    -1.7602	H	1	noname	0.1191
29	H6     2.9381     3.0468    -1.7602	H	1	noname	0.1191
30	H7     3.1737    -1.1499    -2.4536	H	1	noname	0.0618
31	H8     3.6768     0.5636     1.9932	H	1	noname	0.2213
32	H9    -3.6240     3.7098    -0.0396	H	1	noname	0.0629
33	H10     0.1493     3.4046    -2.2743	H	1	noname	0.0629
34	H11     4.7177    -1.3178    -1.1699	H	1	noname	0.2105
35	H12     4.8046    -0.9066    -4.1439	H	1	noname	0.0257
36	H13     3.9203     0.6145    -4.4133	H	1	noname	0.0257
37	H14     5.4192     0.6145    -3.4533	H	1	noname	0.0257
38	H15    -4.1189     5.8966    -1.2217	H	1	noname	0.0650
39	H16    -0.3280     5.5483    -3.4383	H	1	noname	0.0650
40	H17    -2.5324     7.6886    -2.4330	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	2
8	5	9	1
9	5	7	2
10	6	10	1
11	8	11	1
12	9	12	1
13	9	13	1
14	10	14	2
15	10	15	1
16	11	16	2
17	11	17	1
18	13	18	1
19	13	19	1
20	16	20	1
21	17	21	2
22	20	22	2
23	21	22	1
24	22	23	1
25	6	24	1
26	6	25	1
27	8	26	1
28	9	27	1
29	12	28	1
30	12	29	1
31	13	30	1
32	15	31	1
33	16	32	1
34	17	33	1
35	18	34	1
36	19	35	1
37	19	36	1
38	19	37	1
39	20	38	1
40	21	39	1
41	23	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1