@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445948
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     8.1007    -7.6687    -0.1718	O.2	1	noname	-0.2998
2	C1     8.0237    -6.5856     0.3951	C.2	1	noname	0.0669
3	C2     9.1987    -5.9005     0.6581	C.2	1	noname	0.0029
4	C3     6.8116    -6.1075     0.7742	C.2	1	noname	0.0293
5	C4     9.2957    -4.5095     0.4362	C.2	1	noname	0.0138
6	C5    10.3277    -6.5905     1.1462	C.2	1	noname	0.0138
7	C6     5.6526    -6.6755     0.4062	C.2	1	noname	-0.0124
8	C7    10.5016    -3.8474     0.7112	C.2	1	noname	0.0104
9	C8    11.5137    -5.8855     1.4043	C.2	1	noname	0.0104
10	C9     4.4045    -6.2155     0.7842	C.2	1	noname	-0.0106
11	N1    11.5616    -4.5494     1.1823	N.2	1	noname	-0.2373
12	C10     3.3365    -7.1274     0.9053	C.2	1	noname	0.0056
13	C11     4.1295    -4.8534     1.0363	C.2	1	noname	-0.0325
14	N2     2.1014    -6.6954     1.2643	N.2	1	noname	-0.2521
15	C12     2.8414    -4.4343     1.4063	C.2	1	noname	-0.0246
16	C13     1.8233    -5.3933     1.5174	C.2	1	noname	-0.0054
17	H1     6.7856    -5.3055     1.3592	H	1	noname	0.0663
18	H2     8.4996    -3.9804     0.0752	H	1	noname	0.0646
19	H3    10.2906    -7.5975     1.3142	H	1	noname	0.0646
20	H4     5.6895    -7.4915    -0.1607	H	1	noname	0.0630
21	H5    10.5826    -2.8413     0.5563	H	1	noname	0.0839
22	H6    12.3356    -6.3755     1.7583	H	1	noname	0.0839
23	H7     3.4834    -8.1224     0.7273	H	1	noname	0.0845
24	H8     4.8664    -4.1523     0.9443	H	1	noname	0.0630
25	H9     2.6463    -3.4493     1.5874	H	1	noname	0.0638
26	H10     0.8793    -5.1133     1.7834	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	2
7	4	17	1
8	5	8	1
9	5	18	1
10	6	9	2
11	6	19	1
12	7	10	1
13	7	20	1
14	8	11	2
15	8	21	1
16	9	11	1
17	9	22	1
18	10	12	2
19	10	13	1
20	12	14	1
21	12	23	1
22	13	15	2
23	13	24	1
24	14	16	2
25	15	16	1
26	15	25	1
27	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1