@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3800
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.1742     3.5770    -3.3150	O.2	1	noname	-0.2568
2	C1     0.3822     2.6890    -2.4539	C.2	1	noname	0.0908
3	O2    -0.3057     1.5191    -2.5659	O.3	1	noname	-0.2067
4	C2     1.3811     2.8581    -1.4559	C.2	1	noname	-0.0027
5	C3    -1.3467     1.3832    -3.5338	C.3	1	noname	0.0539
6	C4     1.6091     1.9211    -0.4009	C.2	1	noname	0.0281
7	C5     2.2671     3.9551    -1.5999	C.2	1	noname	-0.0068
8	C6    -1.9818    -0.0017    -3.3798	C.3	1	noname	-0.0409
9	N1     0.7210     0.9362    -0.0108	N.3	1	noname	-0.0171
10	C7     2.8080     2.0322     0.3460	C.2	1	noname	-0.0377
11	C8     3.4120     4.0771    -0.8019	C.2	1	noname	-0.0675
12	C9    -0.6189     1.0092     0.1591	C.2	1	noname	-0.0472
13	C10     1.0550    -0.3227     0.3651	C.2	1	noname	-0.0320
14	C11     3.6990     3.0972     0.1551	C.2	1	noname	-0.0353
15	C12    -1.0639    -0.2426     0.5811	C.2	1	noname	0.0113
16	C13    -1.5329     2.0772     0.0471	C.2	1	noname	-0.0304
17	N2    -0.0159    -1.0626     0.7052	N.2	1	noname	-0.2287
18	C14    -2.4189    -0.4976     0.8432	C.2	1	noname	-0.0105
19	C15    -2.8979     1.8393     0.3052	C.2	1	noname	-0.0469
20	C16    -3.3399     0.5574     0.6932	C.2	1	noname	-0.0439
21	H1    -2.1118     2.1452    -3.3728	H	1	noname	0.0570
22	H2    -0.9388     1.4832    -4.5407	H	1	noname	0.0570
23	H3     2.1110     4.6561    -2.3268	H	1	noname	0.0631
24	H4    -2.7738    -0.1236    -4.1188	H	1	noname	0.0254
25	H5    -1.2238    -0.7706    -3.5298	H	1	noname	0.0254
26	H6    -2.4038    -0.1006    -2.3788	H	1	noname	0.0254
27	H7     3.0140     1.3612     1.0871	H	1	noname	0.0642
28	H8     4.0479     4.8641    -0.9348	H	1	noname	0.0622
29	H9     2.0069    -0.6926     0.3632	H	1	noname	0.1019
30	H10     4.5409     3.1702     0.7261	H	1	noname	0.0623
31	H11    -1.2189     3.0102    -0.2147	H	1	noname	0.0643
32	H12    -2.7269    -1.4215     1.1452	H	1	noname	0.0645
33	H13    -3.5699     2.6013     0.2142	H	1	noname	0.0623
34	H14    -4.3299     0.3974     0.8793	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	5	21	1
9	5	22	1
10	6	9	1
11	6	10	1
12	7	11	2
13	7	23	1
14	8	24	1
15	8	25	1
16	8	26	1
17	9	12	1
18	9	13	1
19	10	14	2
20	10	27	1
21	11	14	1
22	11	28	1
23	12	15	2
24	12	16	1
25	13	17	2
26	13	29	1
27	14	30	1
28	15	18	1
29	15	17	1
30	16	19	2
31	16	31	1
32	18	20	2
33	18	32	1
34	19	20	1
35	19	33	1
36	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1