@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443666
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    33.4100    -0.2593    -1.5567	O.3	1	noname	-0.3240
2	C1    34.3920    -0.7053    -0.7477	C.2	1	noname	0.1521
3	C2    32.4549     0.1927    -0.7157	C.2	1	noname	0.1110
4	N1    34.0419    -0.5292     0.5323	N.2	1	noname	-0.1371
5	N2    35.5560    -1.2472    -1.1496	N.3	1	noname	-0.0431
6	N3    32.8689     0.0147     0.5513	N.2	1	noname	-0.1299
7	C3    31.2258     0.7597    -1.1086	C.2	1	noname	-0.0038
8	C4    35.8800    -1.4092    -2.5226	C.3	1	noname	0.0285
9	C5    30.2987     1.2058    -0.1355	C.2	1	noname	0.0168
10	C6    30.9088     0.8918    -2.4866	C.2	1	noname	-0.0011
11	C7    37.2180    -2.0122    -2.6606	C.2	1	noname	-0.0486
12	C8    29.0887     1.7669    -0.5705	C.2	1	noname	0.0111
13	C9    29.6857     1.4579    -2.9026	C.2	1	noname	-0.0199
14	C10    38.3570    -1.3201    -2.2005	C.2	1	noname	-0.0531
15	C11    37.3789    -3.2812    -3.2546	C.2	1	noname	-0.0531
16	C12    28.7876     1.8909    -1.9165	C.2	1	noname	-0.0382
17	C13    27.9966     2.2889     0.1034	C.2	1	noname	0.0275
18	C14    39.6360    -1.8881    -2.3275	C.2	1	noname	-0.0594
19	C15    38.6579    -3.8502    -3.3816	C.2	1	noname	-0.0594
20	N4    27.5765     2.4580    -2.0045	N.3	1	noname	-0.0134
21	N5    27.1015     2.6970    -0.8174	N.2	1	noname	-0.2948
22	C16    39.7870    -3.1541    -2.9185	C.2	1	noname	-0.0613
23	H1    36.1910    -1.5352    -0.4756	H	1	noname	0.1321
24	H2    35.8749    -0.4361    -3.0196	H	1	noname	0.0483
25	H3    35.1239    -2.0422    -2.9936	H	1	noname	0.0483
26	H4    30.4967     1.1248     0.8644	H	1	noname	0.0638
27	H5    31.5688     0.5748    -3.1986	H	1	noname	0.0631
28	H6    29.4607     1.5509    -3.8936	H	1	noname	0.0643
29	H7    38.2549    -0.3990    -1.7705	H	1	noname	0.0626
30	H8    36.5648    -3.7941    -3.5936	H	1	noname	0.0626
31	H9    27.8875     2.3549     1.1165	H	1	noname	0.0863
32	H10    40.4559    -1.3810    -1.9914	H	1	noname	0.0622
33	H11    38.7669    -4.7701    -3.8105	H	1	noname	0.0622
34	H12    27.1195     2.6611    -2.8355	H	1	noname	0.1754
35	H13    40.7150    -3.5671    -3.0105	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	2
6	3	7	1
7	4	6	1
8	5	8	1
9	5	23	1
10	7	9	2
11	7	10	1
12	8	11	1
13	8	24	1
14	8	25	1
15	9	12	1
16	9	26	1
17	10	13	2
18	10	27	1
19	11	14	2
20	11	15	1
21	12	16	2
22	12	17	1
23	13	16	1
24	13	28	1
25	14	18	1
26	14	29	1
27	15	19	2
28	15	30	1
29	16	20	1
30	17	21	2
31	17	31	1
32	18	22	2
33	18	32	1
34	19	22	1
35	19	33	1
36	20	21	1
37	20	34	1
38	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1