@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3944
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.1852     0.7838    -0.4353	O.3	1	noname	-0.2824
2	C1    -2.8493     0.9208    -0.2833	C.2	1	noname	0.0236
3	C2    -1.9603    -0.0630    -0.7792	C.2	1	noname	0.0300
4	C3    -2.3623     2.0638     0.3836	C.2	1	noname	-0.0108
5	C4    -0.5814     0.1549    -0.5892	C.2	1	noname	0.0223
6	C5    -2.4554    -1.2690    -1.4762	C.3	1	noname	-0.0052
7	C6    -0.9804     2.2539     0.5647	C.2	1	noname	-0.0189
8	N1     0.4504    -0.6209    -0.9431	N.2	1	noname	-0.2391
9	C7    -0.0905     1.2879     0.0567	C.2	1	noname	-0.0531
10	C8    -3.1684    -2.1419    -0.5752	C.2	1	noname	-0.0925
11	C9     1.5534     0.0240    -0.5211	C.2	1	noname	-0.0344
12	N2     1.2564     1.1960     0.0858	N.3	1	noname	-0.0189
13	C10    -4.4464    -2.4718    -0.7651	C.2	1	noname	-0.0973
14	C11     2.1723     2.0740     0.6088	C.2	1	noname	-0.0236
15	C12     3.2992     1.6000     1.3179	C.2	1	noname	-0.0547
16	C13     2.0302     3.4700     0.4389	C.2	1	noname	-0.0547
17	C14     4.2441     2.4900     1.8549	C.2	1	noname	-0.0619
18	C15     2.9732     4.3640     0.9749	C.2	1	noname	-0.0619
19	C16     4.0801     3.8740     1.6850	C.2	1	noname	-0.0850
20	H1    -4.4612    -0.0411    -0.8853	H	1	noname	0.2182
21	H2    -3.0184     2.7589     0.7426	H	1	noname	0.0650
22	H3    -3.0944    -0.9589    -2.3061	H	1	noname	0.0361
23	H4    -1.6214    -1.8349    -1.8931	H	1	noname	0.0361
24	H5    -0.6385     3.0759     1.0607	H	1	noname	0.0644
25	H6    -2.6905    -2.5178     0.2088	H	1	noname	0.0573
26	H7     2.4993    -0.3339    -0.6601	H	1	noname	0.1019
27	H8    -4.8994    -3.0768    -0.1251	H	1	noname	0.0534
28	H9    -4.9494    -2.1178    -1.5411	H	1	noname	0.0534
29	H10     3.4311     0.5971     1.4569	H	1	noname	0.0642
30	H11     1.2432     3.8440    -0.0909	H	1	noname	0.0642
31	H12     5.0491     2.1321     2.3699	H	1	noname	0.0623
32	H13     2.8551     5.3690     0.8440	H	1	noname	0.0623
33	H14     4.7650     4.5220     2.0750	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	20	1
3	2	3	2
4	2	4	1
5	3	5	1
6	3	6	1
7	4	7	2
8	4	21	1
9	5	8	1
10	5	9	2
11	6	10	1
12	6	22	1
13	6	23	1
14	7	9	1
15	7	24	1
16	8	11	2
17	9	12	1
18	10	13	2
19	10	25	1
20	11	12	1
21	11	26	1
22	12	14	1
23	13	27	1
24	13	28	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