@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3835
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1616    -0.8642    -0.0864	O.2	1	noname	-0.2498
2	C1     1.0246    -0.3801     0.1106	C.2	1	noname	0.1330
3	N1     0.7145     0.9418     0.1876	N.3	1	noname	-0.1062
4	N2    -0.0844    -1.1221     0.2736	N.3	1	noname	-0.1158
5	C2     1.5875     1.9789     0.0677	C.2	1	noname	-0.0167
6	C3    -0.6195     1.0129     0.4077	C.2	1	noname	0.0077
7	C4    -1.1115    -0.2901     0.4597	C.2	1	noname	0.0092
8	C5     1.4584     2.9070    -0.9872	C.2	1	noname	-0.0279
9	C6     2.6405     2.1340     0.9928	C.2	1	noname	-0.0279
10	C7    -1.4846     2.1089     0.5847	C.2	1	noname	-0.0222
11	C8    -2.4706    -0.5571     0.6817	C.2	1	noname	-0.0264
12	C9     2.3674     3.9721    -1.1142	C.2	1	noname	-0.0520
13	C10     3.5505     3.1991     0.8668	C.2	1	noname	-0.0520
14	C11    -2.8536     1.8590     0.8068	C.2	1	noname	-0.0525
15	C12    -3.3436     0.5359     0.8538	C.2	1	noname	-0.0502
16	C13     3.4134     4.1172    -0.1871	C.2	1	noname	-0.0559
17	H1    -0.1275    -2.0901     0.2587	H	1	noname	0.1385
18	H2     0.7033     2.8071    -1.6662	H	1	noname	0.0639
19	H3     2.7474     1.4700     1.7608	H	1	noname	0.0639
20	H4    -1.1296     3.0650     0.5538	H	1	noname	0.0640
21	H5    -2.8176    -1.5151     0.7178	H	1	noname	0.0639
22	H6     2.2683     4.6392    -1.8801	H	1	noname	0.0623
23	H7     4.3095     3.3031     1.5398	H	1	noname	0.0623
24	H8    -3.4967     2.6420     0.9348	H	1	noname	0.0623
25	H9    -4.3377     0.3690     1.0168	H	1	noname	0.0623
26	H10     4.0744     4.8892    -0.2801	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	17	1
8	5	8	2
9	5	9	1
10	6	10	1
11	6	7	2
12	7	11	1
13	8	12	1
14	8	18	1
15	9	13	2
16	9	19	1
17	10	14	2
18	10	20	1
19	11	15	2
20	11	21	1
21	12	16	2
22	12	22	1
23	13	16	1
24	13	23	1
25	14	15	1
26	14	24	1
27	15	25	1
28	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1