@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445246
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    33.0301    -3.5841     0.0873	O.3	1	noname	-0.2856
2	C1    33.2480    -4.7680    -0.5266	C.2	1	noname	0.0024
3	C2    33.4400    -5.9360     0.2314	C.2	1	noname	-0.0184
4	C3    33.2790    -4.8290    -1.9276	C.2	1	noname	-0.0313
5	C4    33.6630    -7.1880    -0.3925	C.2	1	noname	-0.0308
6	C5    33.4999    -6.0570    -2.5686	C.2	1	noname	-0.0480
7	C6    33.8529    -8.3731     0.3794	C.2	1	noname	-0.0364
8	C7    33.6889    -7.2230    -1.8085	C.2	1	noname	-0.0589
9	C8    33.3759    -9.6331    -0.0694	C.2	1	noname	0.0070
10	C9    34.5299    -8.3420     1.6255	C.2	1	noname	-0.0162
11	N1    33.5618   -10.7641     0.6606	N.2	1	noname	-0.2512
12	C10    34.6919    -9.5240     2.3696	C.2	1	noname	-0.0019
13	C11    34.2048   -10.7180     1.8486	C.2	1	noname	0.0624
14	C12    35.3068    -9.8130     3.5937	C.2	1	noname	-0.0150
15	N2    34.4998   -11.7120     2.6927	N.3	1	noname	-0.0441
16	C13    35.9488    -8.9409     4.5138	C.2	1	noname	-0.0389
17	C14    35.1648   -11.1990     3.7408	C.2	1	noname	-0.1070
18	C15    35.5227    -7.6038     4.6878	C.2	1	noname	-0.0433
19	C16    37.0298    -9.4029     5.3018	C.2	1	noname	-0.0433
20	C17    36.1667    -6.7507     5.6009	C.2	1	noname	-0.0563
21	C18    37.6748    -8.5528     6.2159	C.2	1	noname	-0.0563
22	C19    37.2458    -7.2247     6.3639	C.2	1	noname	-0.0567
23	H1    33.0180    -3.6260     1.0664	H	1	noname	0.2181
24	H2    33.4010    -5.8670     1.2495	H	1	noname	0.0656
25	H3    33.1410    -3.9819    -2.4806	H	1	noname	0.0650
26	H4    33.5259    -6.1030    -3.5876	H	1	noname	0.0623
27	H5    33.8589    -8.1010    -2.3015	H	1	noname	0.0629
28	H6    32.8738    -9.7090    -0.9554	H	1	noname	0.0846
29	H7    34.9189    -7.4669     1.9766	H	1	noname	0.0637
30	H8    34.2747   -12.6460     2.5648	H	1	noname	0.1537
31	H9    35.5027   -11.7460     4.5328	H	1	noname	0.0796
32	H10    34.7247    -7.2398     4.1678	H	1	noname	0.0629
33	H11    37.3658   -10.3619     5.2089	H	1	noname	0.0629
34	H12    35.8467    -5.7887     5.7139	H	1	noname	0.0622
35	H13    38.4568    -8.9008     6.7720	H	1	noname	0.0622
36	H14    37.7147    -6.6067     7.0270	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	23	1
3	2	3	2
4	2	4	1
5	3	5	1
6	3	24	1
7	4	6	2
8	4	25	1
9	5	7	1
10	5	8	2
11	6	8	1
12	6	26	1
13	7	9	2
14	7	10	1
15	8	27	1
16	9	11	1
17	9	28	1
18	10	12	2
19	10	29	1
20	11	13	2
21	12	14	1
22	12	13	1
23	13	15	1
24	14	16	1
25	14	17	2
26	15	17	1
27	15	30	1
28	16	18	2
29	16	19	1
30	17	31	1
31	18	20	1
32	18	32	1
33	19	21	2
34	19	33	1
35	20	22	2
36	20	34	1
37	21	22	1
38	21	35	1
39	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1