@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4284
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.3513    -4.9496     0.5964	O.3	1	noname	-0.2769
2	C1     5.5572    -4.3365     0.5894	C.2	1	noname	0.0184
3	C2     5.6651    -2.9286     0.5775	C.2	1	noname	0.0266
4	C3     6.7171    -5.1355     0.5925	C.2	1	noname	-0.0077
5	O2     4.5701    -2.1346     0.5765	O.3	1	noname	-0.2758
6	C4     6.9340    -2.3225     0.5685	C.2	1	noname	-0.0226
7	C5     7.9930    -4.5304     0.5835	C.2	1	noname	-0.0476
8	C6     8.0779    -3.1364     0.5716	C.2	1	noname	-0.0417
9	C7     9.2669    -5.0783     0.5836	C.2	1	noname	0.0230
10	C8     9.4558    -2.6734     0.5627	C.3	1	noname	0.0116
11	C9     9.6458    -6.3762     0.5936	C.2	1	noname	0.0785
12	C10    10.2408    -3.9953     0.5726	C.3	1	noname	-0.0212
13	C11     8.8518    -7.3672     0.6037	C.1	1	noname	0.0947
14	C12    10.8747    -6.7072     0.5927	C.1	1	noname	0.0947
15	N1     8.1388    -8.2681     0.6127	N.1	1	noname	-0.1747
16	N2    11.9856    -6.9971     0.5907	N.1	1	noname	-0.1747
17	H1     3.5763    -4.3545     0.5844	H	1	noname	0.2183
18	H2     6.6091    -6.1473     0.6015	H	1	noname	0.0657
19	H3     3.7121    -2.6015     0.5936	H	1	noname	0.2183
20	H4     7.0220    -1.3066     0.5596	H	1	noname	0.0654
21	H5     9.6667    -2.0994    -0.3412	H	1	noname	0.0319
22	H6     9.6727    -2.0824     1.4536	H	1	noname	0.0319
23	H7    10.8667    -4.0553    -0.3202	H	1	noname	0.0320
24	H8    10.8697    -4.0393     1.4646	H	1	noname	0.0320
@<TRIPOS>BOND
1	1	2	1
2	1	17	1
3	2	3	2
4	2	4	1
5	3	5	1
6	3	6	1
7	4	7	2
8	4	18	1
9	5	19	1
10	6	8	2
11	6	20	1
12	7	9	1
13	7	8	1
14	8	10	1
15	9	11	2
16	9	12	1
17	10	12	1
18	10	21	1
19	10	22	1
20	11	13	1
21	11	14	1
22	12	23	1
23	12	24	1
24	13	15	3
25	14	16	3
@<TRIPOS>SUBSTRUCTURE
1	noname	1