@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4081
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     9.5693    -3.4165     0.7877	O.2	1	noname	-0.2754
2	C1     8.9463    -4.5025     0.7057	C.2	1	noname	0.0908
3	N1     7.5733    -4.4954     0.5798	N.3	1	noname	-0.1292
4	C2     9.6773    -5.7144     0.7597	C.2	1	noname	-0.0022
5	C3     6.8633    -5.6924     0.5148	C.2	1	noname	-0.0094
6	C4     6.9073    -3.2125     0.5248	C.3	1	noname	0.0084
7	C5     8.9802    -6.9503     0.6848	C.2	1	noname	0.0048
8	C6    11.0852    -5.6974     0.8888	C.2	1	noname	0.0283
9	C7     7.5492    -6.9433     0.5598	C.2	1	noname	-0.0178
10	C8     5.4513    -5.6993     0.3989	C.2	1	noname	0.0063
11	C9     6.3073    -2.8404     1.8908	C.3	1	noname	-0.0515
12	C10     9.7441    -8.1442     0.7419	C.2	1	noname	0.0043
13	C11    11.8141    -6.8923     0.9428	C.2	1	noname	0.0380
14	C12     6.7902    -8.1402     0.4829	C.2	1	noname	-0.0008
15	C13     4.7193    -6.8922     0.3269	C.2	1	noname	0.0330
16	C14    11.1421    -8.1192     0.8689	C.2	1	noname	0.0469
17	O2    13.1590    -6.8602     1.0659	O.3	1	noname	-0.2748
18	C15     5.3942    -8.1202     0.3669	C.2	1	noname	0.0269
19	O3     3.3723    -6.8262     0.2230	O.3	1	noname	-0.2749
20	O4    11.8430    -9.2751     0.9219	O.3	1	noname	-0.2731
21	O5     4.7292    -9.2971     0.2980	O.3	1	noname	-0.2762
22	H1     7.5932    -2.4095     0.2489	H	1	noname	0.0437
23	H2     6.1283    -3.2084    -0.2370	H	1	noname	0.0437
24	H3    11.5891    -4.8103     0.9449	H	1	noname	0.0659
25	H4     4.9293    -4.8263     0.3709	H	1	noname	0.0668
26	H5     5.8153    -1.8704     1.8149	H	1	noname	0.0244
27	H6     5.5783    -3.5843     2.2079	H	1	noname	0.0244
28	H7     7.1032    -2.7794     2.6329	H	1	noname	0.0244
29	H8     9.2961    -9.0571     0.6929	H	1	noname	0.0657
30	H9     7.2412    -9.0521     0.5100	H	1	noname	0.0658
31	H10    13.5740    -7.7491     1.0929	H	1	noname	0.2183
32	H11     2.9113    -7.6871     0.1840	H	1	noname	0.2183
33	H12    11.2969   -10.0870     0.8640	H	1	noname	0.2183
34	H13     3.7572    -9.2271     0.2170	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	2
9	5	10	1
10	6	11	1
11	6	22	1
12	6	23	1
13	7	12	1
14	7	9	1
15	8	13	2
16	8	24	1
17	9	14	1
18	10	15	2
19	10	25	1
20	11	26	1
21	11	27	1
22	11	28	1
23	12	16	2
24	12	29	1
25	13	17	1
26	13	16	1
27	14	18	2
28	14	30	1
29	15	19	1
30	15	18	1
31	16	20	1
32	17	31	1
33	18	21	1
34	19	32	1
35	20	33	1
36	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1