@<TRIPOS>MOLECULE
DB03738
38 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     4.9449    -4.1328     0.0133	S.3	1	noname	-0.1347
2	C1     5.1600    -2.4901    -0.3677	C.2	1	noname	-0.0087
3	C2     4.1139    -1.6690    -0.3852	C.2	1	noname	0.0198
4	N1     2.9497    -2.1139    -0.1162	N.2	1	noname	-0.2138
5	C3     1.9468    -1.3267    -0.1330	C.2	1	noname	0.0287
6	O1     2.1139    -0.0512    -0.4288	O.3	1	noname	-0.2629
7	C4     0.6411    -1.8257     0.1687	C.3	1	noname	0.0316
8	C5    -0.3742    -0.6847     0.0786	C.3	1	noname	0.0491
9	N2    -1.6298    -1.1644     0.3687	N.2	1	noname	-0.2205
10	C6    -2.6326    -0.3773     0.3519	C.2	1	noname	0.0326
11	O2    -2.4656     0.8982     0.0561	O.3	1	noname	-0.2575
12	C7    -3.9383    -0.8763     0.6536	C.3	1	noname	0.1249
13	O3    -4.4574    -0.1911     1.7839	O.3	1	noname	-0.3838
14	C8    -3.8543    -2.3731     0.9588	C.3	1	noname	0.0216
15	C9    -5.2514    -2.9070     1.2816	C.3	1	noname	0.0512
16	C10    -3.2951    -3.1114    -0.2590	C.3	1	noname	-0.0548
17	C11    -2.9326    -2.5980     2.1591	C.3	1	noname	-0.0548
18	O4    -6.1069    -2.6983     0.1676	O.3	1	noname	-0.3956
19	H1     4.9254    -4.2814     1.3248	H	1	noname	0.1072
20	H2     6.0478    -1.9118    -0.6236	H	1	noname	0.0710
21	H3     4.2126    -0.6102    -0.6248	H	1	noname	0.0845
22	H4     2.1807     0.4592     0.3815	H	1	noname	0.2195
23	H5     0.4116    -2.5420    -0.6202	H	1	noname	0.0372
24	H6     0.6856    -2.1541     1.2071	H	1	noname	0.0372
25	H7    -0.1595     0.0345     0.8691	H	1	noname	0.0520
26	H8    -0.4334    -0.3535    -0.9581	H	1	noname	0.0520
27	H9    -2.3987     1.4086     0.8665	H	1	noname	0.2196
28	H10    -4.5869    -0.6433    -0.1909	H	1	noname	0.0697
29	H11    -4.7566    -0.8295     2.4355	H	1	noname	0.2111
30	H12    -5.1814    -3.9887     1.3959	H	1	noname	0.0570
31	H13    -5.6675    -2.2998     2.0855	H	1	noname	0.0570
32	H14    -3.3692    -4.1868    -0.0976	H	1	noname	0.0238
33	H15    -3.8676    -2.8366    -1.1449	H	1	noname	0.0238
34	H16    -2.2500    -2.8366    -0.4021	H	1	noname	0.0238
35	H17    -2.8057    -3.6679     2.3244	H	1	noname	0.0238
36	H18    -1.9618    -2.1431     1.9620	H	1	noname	0.0238
37	H19    -3.3735    -2.1431     3.0461	H	1	noname	0.0238
38	H20    -6.3807    -3.5466    -0.1889	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	3	4	1
4	4	5	2
5	5	6	1
6	5	7	1
7	7	8	1
8	8	9	1
9	9	10	2
10	10	11	1
11	10	12	1
12	12	13	1
13	12	14	1
14	14	15	1
15	14	16	1
16	14	17	1
17	15	18	1
18	1	19	1
19	2	20	1
20	3	21	1
21	6	22	1
22	7	23	1
23	7	24	1
24	8	25	1
25	8	26	1
26	11	27	1
27	12	28	1
28	13	29	1
29	15	30	1
30	15	31	1
31	16	32	1
32	16	33	1
33	16	34	1
34	17	35	1
35	17	36	1
36	17	37	1
37	18	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1