@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445503
32 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.2494   -12.1571     3.5132	O.2	1	noname	-0.2912
2	C1     3.8394   -12.9620     2.8052	C.2	1	noname	0.1118
3	C2     3.1643   -13.6620     1.8163	C.2	1	noname	0.0188
4	C3     5.2713   -13.1000     3.0053	C.3	1	noname	0.0728
5	C4     3.8733   -14.6089     1.0423	C.2	1	noname	0.0256
6	C5     1.7923   -13.4539     1.5503	C.2	1	noname	0.0187
7	C6     6.0293   -11.9909     2.3693	C.2	1	noname	-0.0144
8	C7     5.7503   -14.4920     2.5323	C.3	1	noname	0.0676
9	O2     5.2002   -14.8319     1.2554	O.3	1	noname	-0.2692
10	C8     3.2262   -15.3119     0.0133	C.2	1	noname	-0.0084
11	C9     1.1342   -14.1649     0.5243	C.2	1	noname	0.0001
12	C10     6.7883   -11.1029     3.1574	C.2	1	noname	0.0052
13	C11     6.0263   -11.7829     0.9733	C.2	1	noname	-0.0333
14	C12     1.8631   -15.0919    -0.2405	C.2	1	noname	-0.0026
15	O3    -0.1867   -14.0069     0.2174	O.3	1	noname	-0.2784
16	N1     7.4842   -10.0928     2.5784	N.2	1	noname	-0.2520
17	C13     6.7542   -10.7288     0.4004	C.2	1	noname	-0.0246
18	C14    -1.0388   -13.1008     0.9254	C.3	1	noname	0.0423
19	C15     7.4912    -9.8808     1.2394	C.2	1	noname	-0.0026
20	H1     5.4453   -13.0709     4.0844	H	1	noname	0.0461
21	H2     1.2722   -12.7739     2.1053	H	1	noname	0.0658
22	H3     5.4212   -15.2380     3.2584	H	1	noname	0.0583
23	H4     6.8402   -14.5249     2.4804	H	1	noname	0.0583
24	H5     3.7462   -15.9858    -0.5496	H	1	noname	0.0651
25	H6     6.8192   -11.2139     4.1714	H	1	noname	0.0842
26	H7     5.4912   -12.4009     0.3644	H	1	noname	0.0626
27	H8     1.3991   -15.6098    -0.9875	H	1	noname	0.0651
28	H9     6.7482   -10.5818    -0.6095	H	1	noname	0.0638
29	H10    -2.0398   -13.1528     0.4975	H	1	noname	0.0535
30	H11    -1.0908   -13.3768     1.9795	H	1	noname	0.0535
31	H12    -0.6678   -12.0797     0.8304	H	1	noname	0.0535
32	H13     8.0291    -9.1077     0.8464	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	1
7	4	8	1
8	4	20	1
9	5	9	1
10	5	10	1
11	6	11	2
12	6	21	1
13	7	12	2
14	7	13	1
15	8	9	1
16	8	22	1
17	8	23	1
18	10	14	2
19	10	24	1
20	11	15	1
21	11	14	1
22	12	16	1
23	12	25	1
24	13	17	2
25	13	26	1
26	14	27	1
27	15	18	1
28	16	19	2
29	17	19	1
30	17	28	1
31	18	29	1
32	18	30	1
33	18	31	1
34	19	32	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1