@<TRIPOS>MOLECULE
DB04239
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.7206    -0.5301     0.1211	S.3	1	noname	-0.1167
2	C1     4.9163    -1.7370     0.4472	C.2	1	noname	-0.0286
3	C2     2.1652    -1.3273    -0.3092	C.3	1	noname	0.0253
4	C3     6.2058    -1.3595     0.8033	C.2	1	noname	-0.0394
5	C4     4.5875    -3.0843     0.3532	C.2	1	noname	-0.0394
6	C5     1.1561    -0.3086    -0.5844	C.2	1	noname	0.0088
7	C6     7.1665    -2.3293     1.0653	C.2	1	noname	-0.0552
8	C7     5.5483    -4.0541     0.6152	C.2	1	noname	-0.0552
9	C8     0.3203     0.2050     0.4523	C.2	1	noname	0.0475
10	C9     0.9691     0.2082    -1.8931	C.2	1	noname	-0.0162
11	C10     6.8378    -3.6766     0.9713	C.2	1	noname	-0.0604
12	N1     0.4691    -0.2668     1.7254	N.2	1	noname	-0.2202
13	C11    -0.6788     1.2200     0.1551	C.2	1	noname	0.0336
14	C12    -0.0182     1.2068    -2.1699	C.2	1	noname	-0.0283
15	C13    -0.3153     0.2054     2.7358	C.2	1	noname	-0.0861
16	C14    -1.4739     1.6866     1.2255	C.2	1	noname	0.0545
17	C15    -0.8603     1.7313    -1.1518	C.2	1	noname	0.0034
18	C16    -0.1645     1.7005    -3.5361	C.3	1	noname	0.0179
19	N2    -1.2589     1.1616     2.4647	N.3	1	noname	0.0410
20	N3    -0.1647    -0.2612     3.9829	N.3	1	noname	-0.1247
21	O1    -2.3511     2.5578     1.0410	O.2	1	noname	-0.2878
22	N4     0.7132     2.8528    -3.7344	N.3	1	noname	-0.3265
23	H1     2.2593    -1.8450    -1.2637	H	1	noname	0.0434
24	H2     1.7581    -1.8498     0.5564	H	1	noname	0.0434
25	H3     6.4636    -0.3030     0.8770	H	1	noname	0.0634
26	H4     3.5763    -3.3804     0.0740	H	1	noname	0.0634
27	H5     8.1777    -2.0333     1.3445	H	1	noname	0.0623
28	H6     5.2904    -5.1106     0.5415	H	1	noname	0.0623
29	H7     1.5959    -0.1690    -2.7011	H	1	noname	0.0629
30	H8     7.5911    -4.4371     1.1767	H	1	noname	0.0622
31	H9    -1.6118     2.4917    -1.3640	H	1	noname	0.0634
32	H10     0.1972     0.9117    -4.1957	H	1	noname	0.0476
33	H11    -1.1877     2.0638    -3.6310	H	1	noname	0.0476
34	H12    -1.8312     1.5001     3.2250	H	1	noname	0.1400
35	H13     0.7604    -0.4371     4.3480	H	1	noname	0.1268
36	H14    -0.9763    -0.4371     4.5577	H	1	noname	0.1268
37	H15     1.7122     2.7208    -3.8029	H	1	noname	0.1187
38	H16     0.3206     3.7808    -3.8029	H	1	noname	0.1187
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	4	7	1
7	5	8	2
8	6	9	2
9	6	10	1
10	7	11	2
11	8	11	1
12	9	12	1
13	9	13	1
14	10	14	2
15	12	15	2
16	13	16	1
17	13	17	2
18	14	18	1
19	14	17	1
20	15	19	1
21	15	20	1
22	16	21	2
23	16	19	1
24	18	22	1
25	3	23	1
26	3	24	1
27	4	25	1
28	5	26	1
29	7	27	1
30	8	28	1
31	10	29	1
32	11	30	1
33	17	31	1
34	18	32	1
35	18	33	1
36	19	34	1
37	20	35	1
38	20	36	1
39	22	37	1
40	22	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1