@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442333
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    12.4574    -9.3768    -2.5353	O.2	1	noname	-0.2573
2	C1    13.4183    -8.8628    -1.9203	C.2	1	noname	0.0931
3	O2    14.4932    -8.4688    -2.6672	O.3	1	noname	-0.2071
4	C2    13.4232    -8.6778    -0.5053	C.2	1	noname	0.0198
5	C3    14.4872    -8.6337    -4.0871	C.3	1	noname	0.0539
6	C4    12.3592    -9.0297     0.3836	C.2	1	noname	0.0382
7	C5    14.5901    -8.0918     0.0436	C.2	1	noname	0.0220
8	C6    15.8001    -8.0887    -4.6560	C.3	1	noname	-0.0409
9	C7    12.5412    -8.7667     1.7766	C.2	1	noname	0.0309
10	C8    11.1263    -9.6227    -0.0162	C.2	1	noname	-0.0153
11	C9    14.7051    -7.8607     1.4216	C.2	1	noname	0.0145
12	N1    13.6841    -8.2037     2.2336	N.2	1	noname	-0.2229
13	C10    11.5232    -9.0927     2.6886	C.2	1	noname	-0.0018
14	C11    10.1143    -9.9446     0.9087	C.2	1	noname	-0.0365
15	C12    15.9150    -7.2537     1.9856	C.3	1	noname	0.0325
16	C13    10.3332    -9.6696     2.2627	C.2	1	noname	-0.0782
17	C14    11.4302    -8.9506     4.0676	C.2	1	noname	-0.0269
18	N2     9.5422    -9.8745     3.3276	N.3	1	noname	-0.0753
19	C15    10.1822    -9.4486     4.4316	C.2	1	noname	-0.1090
20	H1    14.3981    -9.6916    -4.3410	H	1	noname	0.0570
21	H2    13.6532    -8.0837    -4.5250	H	1	noname	0.0570
22	H3    15.3740    -7.8257    -0.5562	H	1	noname	0.0650
23	H4    15.8050    -8.2106    -5.7389	H	1	noname	0.0254
24	H5    15.8940    -7.0307    -4.4100	H	1	noname	0.0254
25	H6    16.6400    -8.6366    -4.2270	H	1	noname	0.0254
26	H7    10.9342    -9.8346    -0.9901	H	1	noname	0.0630
27	H8     9.2393   -10.3675     0.5978	H	1	noname	0.0642
28	H9    15.8119    -7.1527     3.0666	H	1	noname	0.0295
29	H10    16.7779    -7.8836     1.7687	H	1	noname	0.0295
30	H11    16.0690    -6.2667     1.5507	H	1	noname	0.0295
31	H12    12.1371    -8.5586     4.6906	H	1	noname	0.0643
32	H13     8.6552   -10.2644     3.3047	H	1	noname	0.1522
33	H14     9.8121    -9.4835     5.3826	H	1	noname	0.0789
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	1
8	5	20	1
9	5	21	1
10	6	9	1
11	6	10	2
12	7	11	1
13	7	22	1
14	8	23	1
15	8	24	1
16	8	25	1
17	9	12	1
18	9	13	2
19	10	14	1
20	10	26	1
21	11	15	1
22	11	12	2
23	13	16	1
24	13	17	1
25	14	16	2
26	14	27	1
27	15	28	1
28	15	29	1
29	15	30	1
30	16	18	1
31	17	19	2
32	17	31	1
33	18	19	1
34	18	32	1
35	19	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1