@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443657
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    36.4722   -13.8501     0.3446	O.3	1	noname	-0.3199
2	C1    37.7871   -13.5681     0.4216	C.2	1	noname	0.1562
3	C2    35.8671   -12.6472     0.4206	C.2	1	noname	0.1127
4	N1    37.9650   -12.2461     0.5406	N.2	1	noname	-0.1360
5	N2    38.7860   -14.4700     0.3886	N.3	1	noname	-0.0425
6	N3    36.7981   -11.6862     0.5406	N.2	1	noname	-0.1262
7	C3    34.4811   -12.4291     0.3846	C.2	1	noname	0.0057
8	C4    38.5399   -15.8629     0.2647	C.3	1	noname	0.0300
9	C5    33.4621   -13.3710     0.2617	C.2	1	noname	0.0020
10	C6    33.8381   -11.1921     0.4687	C.2	1	noname	-0.0618
11	C7    39.8099   -16.6078     0.2747	C.2	1	noname	-0.0137
12	C8    32.2531   -12.6790     0.2757	C.2	1	noname	0.0650
13	C9    33.4601   -14.7699     0.1377	C.2	1	noname	-0.0246
14	N4    32.5061   -11.3701     0.4017	N.3	1	noname	-0.0017
15	C10    40.6408   -16.5928     1.4117	C.2	1	noname	0.0057
16	C11    40.2278   -17.3597    -0.8401	C.2	1	noname	-0.0328
17	N5    31.0681   -13.3280     0.1738	N.2	1	noname	-0.2522
18	C12    32.2231   -15.4339     0.0308	C.2	1	noname	-0.0520
19	N6    41.8087   -17.2827     1.4108	N.2	1	noname	-0.2518
20	C13    41.4417   -18.0646    -0.8120	C.2	1	noname	-0.0244
21	C14    31.0291   -14.6828     0.0518	C.2	1	noname	-0.0029
22	C15    42.2306   -18.0086     0.3469	C.2	1	noname	-0.0025
23	H1    39.6999   -14.1520     0.4527	H	1	noname	0.1321
24	H2    37.9979   -16.0458    -0.6671	H	1	noname	0.0484
25	H3    37.9199   -16.2038     1.0967	H	1	noname	0.0484
26	H4    34.3031   -10.2881     0.5667	H	1	noname	0.0797
27	H5    34.3320   -15.2999     0.1248	H	1	noname	0.0630
28	H6    31.8381   -10.6681     0.4378	H	1	noname	0.1537
29	H7    40.3677   -16.0618     2.2397	H	1	noname	0.0842
30	H8    39.6477   -17.3937    -1.6790	H	1	noname	0.0627
31	H9    32.1900   -16.4498    -0.0600	H	1	noname	0.0639
32	H10    41.7456   -18.6076    -1.6210	H	1	noname	0.0638
33	H11    30.1291   -15.1578    -0.0240	H	1	noname	0.0839
34	H12    43.1175   -18.5126     0.3889	H	1	noname	0.0839
@<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	1
11	7	10	2
12	8	11	1
13	8	24	1
14	8	25	1
15	9	12	2
16	9	13	1
17	10	14	1
18	10	26	1
19	11	15	2
20	11	16	1
21	12	17	1
22	12	14	1
23	13	18	2
24	13	27	1
25	14	28	1
26	15	19	1
27	15	29	1
28	16	20	2
29	16	30	1
30	17	21	2
31	18	21	1
32	18	31	1
33	19	22	2
34	20	22	1
35	20	32	1
36	21	33	1
37	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1