@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448046
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    14.4688    -1.8004    -3.8610	O.2	1	noname	-0.1446
2	N1    13.4827    -2.3604    -3.4599	N.2	1	noname	-0.0150
3	O2    12.5327    -1.6574    -3.2179	O.3	1	noname	-0.1446
4	C1    13.4417    -3.7174    -3.2879	C.2	1	noname	0.0325
5	C2    12.2926    -4.3484    -2.7578	C.2	1	noname	0.0274
6	C3    14.5447    -4.5274    -3.6358	C.2	1	noname	0.0041
7	C4    12.2416    -5.7454    -2.5638	C.2	1	noname	-0.0037
8	C5    14.4996    -5.9204    -3.4678	C.2	1	noname	-0.0352
9	N2    11.1505    -6.3893    -2.0737	N.3	1	noname	0.0067
10	C6    13.3506    -6.5264    -2.9368	C.2	1	noname	-0.0240
11	C7    10.3684    -5.9843    -1.0387	C.2	1	noname	0.0472
12	N3    10.6124    -4.8392    -0.3416	N.2	1	noname	-0.2563
13	C8     9.2774    -6.7943    -0.6766	C.2	1	noname	0.0185
14	C9     9.8404    -4.4292     0.6964	C.2	1	noname	-0.0364
15	C10     8.4933    -6.3532     0.3953	C.2	1	noname	-0.0062
16	N4     8.7843    -5.2051     1.0424	N.3	1	noname	-0.0204
17	N5     7.4052    -6.9512     0.9174	N.2	1	noname	-0.2183
18	C11     7.8652    -5.0501     2.0055	C.2	1	noname	-0.0525
19	C12     7.0082    -6.1481     1.9185	C.2	1	noname	0.0118
20	C13     7.6702    -4.0500     2.9736	C.2	1	noname	-0.0319
21	C14     5.9241    -6.2891     2.7986	C.2	1	noname	-0.0101
22	C15     6.5831    -4.1820     3.8616	C.2	1	noname	-0.0470
23	C16     5.7160    -5.2940     3.7746	C.2	1	noname	-0.0438
24	H1    11.4805    -3.7793    -2.5148	H	1	noname	0.0663
25	H2    15.3886    -4.1004    -4.0208	H	1	noname	0.0647
26	H3    15.3026    -6.4923    -3.7308	H	1	noname	0.0623
27	H4    10.9345    -7.2453    -2.4737	H	1	noname	0.1357
28	H5    13.3256    -7.5393    -2.8187	H	1	noname	0.0639
29	H6     9.0633    -7.6613    -1.1696	H	1	noname	0.0693
30	H7    10.0543    -3.5641     1.1934	H	1	noname	0.1020
31	H8     8.2982    -3.2480     3.0336	H	1	noname	0.0643
32	H9     5.3000    -7.0940     2.7316	H	1	noname	0.0645
33	H10     6.4210    -3.4679     4.5727	H	1	noname	0.0623
34	H11     4.9330    -5.3770     4.4237	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	24	1
8	6	8	2
9	6	25	1
10	7	9	1
11	7	10	2
12	8	10	1
13	8	26	1
14	9	11	1
15	9	27	1
16	10	28	1
17	11	12	1
18	11	13	2
19	12	14	2
20	13	15	1
21	13	29	1
22	14	16	1
23	14	30	1
24	15	17	2
25	15	16	1
26	16	18	1
27	17	19	1
28	18	20	1
29	18	19	2
30	19	21	1
31	20	22	2
32	20	31	1
33	21	23	2
34	21	32	1
35	22	23	1
36	22	33	1
37	23	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1