@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3941
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.3524    -1.3064     0.7837	O.3	1	noname	-0.2538
2	C1    -1.8934    -0.0213     0.6877	C.2	1	noname	0.0791
3	C2    -1.5184    -2.4394     1.0357	C.3	1	noname	0.0425
4	C3    -2.8185     1.0227     0.4208	C.2	1	noname	0.0509
5	C4    -0.5324     0.3317     0.8338	C.2	1	noname	0.0416
6	O2    -4.1685     0.8677     0.2548	O.3	1	noname	-0.2642
7	C5    -2.3675     2.3548     0.3018	C.2	1	noname	-0.0007
8	N1     0.5325    -0.4452     1.0678	N.2	1	noname	-0.2328
9	C6    -0.0934     1.6518     0.7338	C.2	1	noname	-0.0475
10	C7    -4.8616    -0.3762     0.3688	C.3	1	noname	0.0424
11	C8    -1.0085     2.6808     0.4508	C.2	1	noname	-0.0267
12	C9     1.5965     0.3747     1.1089	C.2	1	noname	-0.0477
13	N2     1.2445     1.6658     0.9168	N.3	1	noname	-0.0262
14	C10     2.1074     2.7329     0.9219	C.2	1	noname	-0.0236
15	C11     3.3764     2.6339     0.3069	C.2	1	noname	-0.0550
16	C12     1.7684     3.9480     1.5609	C.2	1	noname	-0.0550
17	C13     4.2714     3.7180     0.3149	C.2	1	noname	-0.0619
18	C14     2.6604     5.0340     1.5710	C.2	1	noname	-0.0619
19	C15     3.9124     4.9191     0.9460	C.2	1	noname	-0.0853
20	H1    -2.1395    -3.3344     1.0598	H	1	noname	0.0535
21	H2    -0.7774    -2.5483     0.2427	H	1	noname	0.0535
22	H3    -1.0164    -2.3333     1.9988	H	1	noname	0.0535
23	H4    -3.0376     3.0968     0.1008	H	1	noname	0.0651
24	H5    -5.9246    -0.2002     0.2089	H	1	noname	0.0535
25	H6    -4.5056    -1.0792    -0.3860	H	1	noname	0.0535
26	H7    -4.7216    -0.7982     1.3649	H	1	noname	0.0535
27	H8    -0.7005     3.6469     0.3489	H	1	noname	0.0644
28	H9     2.5505     0.0518     1.2799	H	1	noname	0.1019
29	H10     3.6514     1.7700    -0.1610	H	1	noname	0.0642
30	H11     0.8713     4.0440     2.0380	H	1	noname	0.0642
31	H12     5.1814     3.6310    -0.1379	H	1	noname	0.0623
32	H13     2.4013     5.9041     2.0370	H	1	noname	0.0623
33	H14     4.5614     5.7062     0.9520	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	20	1
6	3	21	1
7	3	22	1
8	4	6	1
9	4	7	1
10	5	8	1
11	5	9	2
12	6	10	1
13	7	11	2
14	7	23	1
15	8	12	2
16	9	13	1
17	9	11	1
18	10	24	1
19	10	25	1
20	10	26	1
21	11	27	1
22	12	13	1
23	12	28	1
24	13	14	1
25	14	15	2
26	14	16	1
27	15	17	1
28	15	29	1
29	16	18	2
30	16	30	1
31	17	19	2
32	17	31	1
33	18	19	1
34	18	32	1
35	19	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1