@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3922
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.0027     0.4345     1.3040	O.3	1	noname	-0.2701
2	C1    -2.7178     0.6925     0.9520	C.2	1	noname	0.0198
3	C2    -4.3467     0.5215     2.6880	C.3	1	noname	0.0713
4	C3    -1.7998    -0.3703     0.8331	C.2	1	noname	0.0241
5	C4    -2.3118     2.0175     0.6830	C.2	1	noname	-0.0107
6	C5    -5.7417     0.2016     2.8310	C.2	1	noname	-0.0778
7	C6    -0.4819    -0.0743     0.4581	C.2	1	noname	0.0185
8	C7    -0.9839     2.2965     0.3051	C.2	1	noname	-0.0189
9	C8    -6.6207     1.0626     3.3440	C.2	1	noname	-0.0886
10	N1     0.5469    -0.9082     0.2682	N.2	1	noname	-0.2395
11	C9    -0.0660     1.2316     0.2072	C.2	1	noname	-0.0537
12	C10     1.5788    -0.1252    -0.0947	C.2	1	noname	-0.0345
13	N2     1.2398     1.1846    -0.1337	N.3	1	noname	-0.0190
14	C11     2.0837     2.2147    -0.4606	C.2	1	noname	-0.0236
15	C12     2.0607     3.4377     0.2483	C.2	1	noname	-0.0547
16	C13     3.0207     2.0707    -1.5106	C.2	1	noname	-0.0547
17	C14     2.9297     4.4877    -0.0906	C.2	1	noname	-0.0619
18	C15     3.8926     3.1187    -1.8515	C.2	1	noname	-0.0619
19	C16     3.8456     4.3297    -1.1435	C.2	1	noname	-0.0850
20	H1    -3.7638    -0.2003     3.2630	H	1	noname	0.0617
21	H2    -4.1387     1.5265     3.0630	H	1	noname	0.0617
22	H3    -2.0879    -1.3322     1.0141	H	1	noname	0.0673
23	H4    -2.9869     2.7785     0.7591	H	1	noname	0.0650
24	H5    -6.0587    -0.6892     2.5361	H	1	noname	0.0593
25	H6    -0.7020     3.2545     0.0991	H	1	noname	0.0644
26	H7    -7.5737     0.8057     3.4241	H	1	noname	0.0535
27	H8    -6.3308     1.9606     3.6461	H	1	noname	0.0535
28	H9     2.5108    -0.4891    -0.3036	H	1	noname	0.1019
29	H10     1.4157     3.5647     1.0283	H	1	noname	0.0642
30	H11     3.0636     1.1998    -2.0405	H	1	noname	0.0642
31	H12     2.8986     5.3647     0.4304	H	1	noname	0.0623
32	H13     4.5585     2.9998    -2.6155	H	1	noname	0.0623
33	H14     4.4775     5.0918    -1.3905	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	20	1
7	3	21	1
8	4	7	1
9	4	22	1
10	5	8	2
11	5	23	1
12	6	9	2
13	6	24	1
14	7	10	1
15	7	11	2
16	8	11	1
17	8	25	1
18	9	26	1
19	9	27	1
20	10	12	2
21	11	13	1
22	12	13	1
23	12	28	1
24	13	14	1
25	14	15	2
26	14	16	1
27	15	17	1
28	15	29	1
29	16	18	2
30	16	30	1
31	17	19	2
32	17	31	1
33	18	19	1
34	18	32	1
35	19	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1