@<TRIPOS>MOLECULE
DB06941
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.6929    -0.5987     5.2900	S.2	1	noname	-0.0778
2	C1     2.8344    -1.1776     3.9374	C.2	1	noname	0.0446
3	N1     2.8617    -0.8272     2.6842	N.2	1	noname	-0.1507
4	N2     1.9974    -2.1488     4.2065	N.3	1	noname	-0.0953
5	N3     3.4989    -0.0021     2.0502	N.2	1	noname	-0.1635
6	C2     4.4679     0.8983     2.4890	C.3	1	noname	0.0870
7	C3     5.7606     0.6742     1.8258	C.2	1	noname	-0.0524
8	C4     6.7714    -0.2658     2.2799	C.2	1	noname	-0.0233
9	C5     5.9604     1.4447     0.6392	C.2	1	noname	-0.0536
10	N4     6.7511    -0.9754     3.4713	N.3	1	noname	-0.1308
11	C6     7.9477    -0.4651     1.4820	C.2	1	noname	-0.0648
12	C7     7.1515     1.2330    -0.1086	C.2	1	noname	-0.0887
13	C8     7.0402    -0.2203     4.6859	C.3	1	noname	0.0159
14	C9     6.6440    -2.4397     3.4655	C.3	1	noname	0.0159
15	C10     8.1292     0.2806     0.2937	C.2	1	noname	-0.0639
16	C11     7.2884    -1.0850     5.9615	C.3	1	noname	0.0112
17	C12     7.6402    -3.1446     4.4435	C.3	1	noname	0.0112
18	N5     8.0222    -2.3585     5.6621	N.3	1	noname	-0.3037
19	C13     7.9850    -3.2298     6.8355	C.3	1	noname	-0.0132
20	H1     1.0122    -1.9521     4.3103	H	1	noname	0.1266
21	H2     2.3373    -3.0942     4.3103	H	1	noname	0.1266
22	H3     4.1107     1.8798     2.1775	H	1	noname	0.0585
23	H4     4.6057     0.6792     3.5478	H	1	noname	0.0585
24	H5     5.2216     2.1764     0.3122	H	1	noname	0.0626
25	H6     8.7077    -1.1873     1.7802	H	1	noname	0.0639
26	H7     7.3195     1.8162    -1.0141	H	1	noname	0.0622
27	H8     7.9759     0.2934     4.4651	H	1	noname	0.0448
28	H9     6.1319     0.3550     4.8656	H	1	noname	0.0448
29	H10     5.6378    -2.6444     3.8312	H	1	noname	0.0448
30	H11     6.9267    -2.7332     2.4545	H	1	noname	0.0448
31	H12     9.0218     0.1215    -0.3114	H	1	noname	0.0623
32	H13     7.9553    -0.5125     6.6061	H	1	noname	0.0443
33	H14     6.3098    -1.3952     6.3279	H	1	noname	0.0443
34	H15     7.1182    -4.0185     4.8332	H	1	noname	0.0443
35	H16     8.5728    -3.2675     3.8928	H	1	noname	0.0443
36	H17     7.9952    -4.2715     6.5150	H	1	noname	0.0394
37	H18     8.8557    -3.0337     7.4614	H	1	noname	0.0394
38	H19     7.0766    -3.0337     7.4050	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	5	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	8	11	1
11	9	12	2
12	10	13	1
13	10	14	1
14	11	15	2
15	12	15	1
16	13	16	1
17	14	17	1
18	16	18	1
19	17	18	1
20	18	19	1
21	4	20	1
22	4	21	1
23	6	22	1
24	6	23	1
25	9	24	1
26	11	25	1
27	12	26	1
28	13	27	1
29	13	28	1
30	14	29	1
31	14	30	1
32	15	31	1
33	16	32	1
34	16	33	1
35	17	34	1
36	17	35	1
37	19	36	1
38	19	37	1
39	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1