@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4273
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.6584    -6.1864    -1.5228	O.2	1	noname	-0.2773
2	C1     5.6513    -6.1064    -2.2787	C.2	1	noname	0.1270
3	N1     6.7062    -5.2964    -1.9777	N.3	1	noname	-0.1402
4	C2     5.5893    -6.8723    -3.5306	C.3	1	noname	0.0098
5	C3     6.9682    -4.7314    -0.7607	C.2	1	noname	-0.0170
6	C4     6.4942    -5.2613     0.4602	C.2	1	noname	-0.0321
7	C5     7.7771    -3.5744    -0.7067	C.2	1	noname	-0.0321
8	C6     6.8221    -4.6693     1.6931	C.2	1	noname	-0.0374
9	C7     8.0161    -2.9143     0.5172	C.2	1	noname	-0.0374
10	C8     7.6071    -3.4943     1.7402	C.2	1	noname	-0.0432
11	C9     8.0310    -2.8893     2.9602	C.2	1	noname	0.0164
12	C10     8.3230    -3.5462     4.1672	C.2	1	noname	0.0745
13	C11     8.5479    -4.8241     4.2562	C.1	1	noname	0.0931
14	C12     8.4679    -2.9042     5.2902	C.1	1	noname	0.0931
15	N2     8.7449    -5.9491     4.3302	N.1	1	noname	-0.1751
16	N3     8.5989    -2.3492     6.2862	N.1	1	noname	-0.1751
17	H1     7.2962    -5.0683    -2.7146	H	1	noname	0.1370
18	H2     4.5913    -7.2933    -3.6636	H	1	noname	0.0324
19	H3     5.8233    -6.2433    -4.3856	H	1	noname	0.0324
20	H4     6.3032    -7.6913    -3.4766	H	1	noname	0.0324
21	H5     5.9421    -6.1102     0.4662	H	1	noname	0.0639
22	H6     8.1710    -3.1803    -1.5486	H	1	noname	0.0639
23	H7     6.4511    -5.0893     2.5472	H	1	noname	0.0629
24	H8     8.5450    -2.0443     0.5232	H	1	noname	0.0629
25	H9     8.2170    -1.8763     2.9332	H	1	noname	0.0650
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	17	1
6	4	18	1
7	4	19	1
8	4	20	1
9	5	6	2
10	5	7	1
11	6	8	1
12	6	21	1
13	7	9	2
14	7	22	1
15	8	10	2
16	8	23	1
17	9	10	1
18	9	24	1
19	10	11	1
20	11	12	2
21	11	25	1
22	12	13	1
23	12	14	1
24	13	15	3
25	14	16	3
@<TRIPOS>SUBSTRUCTURE
1	noname	1