@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3258
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4371     8.4159    -0.4371	O.3	1	noname	-0.2774
2	C1    -0.2791     7.0700    -0.6100	C.2	1	noname	0.0000
3	C2    -0.7261     9.3009    -1.5230	C.3	1	noname	0.0423
4	C3     0.0178     6.3090     0.5339	C.2	1	noname	-0.0285
5	C4    -0.3961     6.4190    -1.8549	C.2	1	noname	-0.0285
6	C5     0.2007     4.9191     0.4389	C.2	1	noname	-0.0435
7	C6    -0.2152     5.0281    -1.9509	C.2	1	noname	-0.0435
8	C7     0.0837     4.2661    -0.8039	C.2	1	noname	-0.0599
9	C8     0.2826     2.8082    -0.8948	C.3	1	noname	0.0265
10	N1    -0.7013     2.1303    -0.1258	N.3	1	noname	-0.1007
11	C9    -0.7473     0.7824    -0.0038	C.2	1	noname	0.0426
12	N2     0.1745     0.0264    -0.6527	N.2	1	noname	-0.2421
13	C10    -1.7313     0.1534     0.7872	C.2	1	noname	-0.0151
14	C11     0.1875    -1.3234    -0.5727	C.2	1	noname	0.0481
15	C12    -1.6924    -1.2614     0.8542	C.2	1	noname	0.0510
16	C13    -2.7284     0.8535     1.5002	C.2	1	noname	-0.0219
17	N3    -0.7435    -1.9523     0.1792	N.2	1	noname	-0.2516
18	C14    -2.6394    -1.9574     1.6272	C.2	1	noname	-0.0088
19	C15    -3.6724     0.1515     2.2692	C.2	1	noname	-0.0525
20	C16    -3.6285    -1.2513     2.3333	C.2	1	noname	-0.0370
21	H1    -0.7981    10.3179    -1.1390	H	1	noname	0.0535
22	H2     0.0728     9.2620    -2.2659	H	1	noname	0.0535
23	H3    -1.6751     9.0309    -1.9879	H	1	noname	0.0535
24	H4     0.1047     6.7681     1.4409	H	1	noname	0.0650
25	H5    -0.6112     6.9520    -2.6969	H	1	noname	0.0650
26	H6     0.4187     4.3811     1.2790	H	1	noname	0.0626
27	H7    -0.3022     4.5721    -2.8598	H	1	noname	0.0626
28	H8     0.2136     2.4753    -1.9337	H	1	noname	0.0482
29	H9     1.2776     2.5623    -0.5178	H	1	noname	0.0482
30	H10    -1.3683     2.6593     0.3381	H	1	noname	0.1300
31	H11     0.8944    -1.8613    -1.0746	H	1	noname	0.1062
32	H12    -2.7744     1.8735     1.4652	H	1	noname	0.0630
33	H13    -2.6115    -2.9763     1.6773	H	1	noname	0.0645
34	H14    -4.3914     0.6625     2.7822	H	1	noname	0.0622
35	H15    -4.3145    -1.7573     2.8933	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	21	1
6	3	22	1
7	3	23	1
8	4	6	1
9	4	24	1
10	5	7	2
11	5	25	1
12	6	8	2
13	6	26	1
14	7	8	1
15	7	27	1
16	8	9	1
17	9	10	1
18	9	28	1
19	9	29	1
20	10	11	1
21	10	30	1
22	11	12	2
23	11	13	1
24	12	14	1
25	13	15	1
26	13	16	2
27	14	17	2
28	14	31	1
29	15	18	2
30	15	17	1
31	16	19	1
32	16	32	1
33	18	20	1
34	18	33	1
35	19	20	2
36	19	34	1
37	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1