@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441543
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9560    -5.7867     0.9776	O.2	1	noname	-0.2810
2	C1     3.1069    -5.3276     0.8077	C.2	1	noname	0.0635
3	N1     3.2498    -3.9896     0.5887	N.3	1	noname	0.0141
4	C2     4.2498    -6.1636     0.8387	C.2	1	noname	0.0621
5	C3     4.4657    -3.4056     0.3948	C.2	1	noname	-0.0814
6	N2     4.1378    -7.4975     1.0557	N.2	1	noname	-0.2190
7	C4     5.5237    -5.5796     0.6377	C.2	1	noname	0.0478
8	C5     5.6297    -4.1826     0.4148	C.2	1	noname	-0.0120
9	C6     5.2217    -8.3045     1.0868	C.2	1	noname	0.0554
10	C7     6.6367    -6.4455     0.6728	C.2	1	noname	0.0580
11	N3     6.4486    -7.7704     0.8968	N.2	1	noname	-0.2206
12	N4     7.8916    -5.9715     0.4899	N.3	1	noname	-0.1000
13	C8     9.0575    -6.7804     0.5249	C.3	1	noname	0.0178
14	C9    10.3144    -5.9274     0.3220	C.3	1	noname	-0.0023
15	C10     9.1354    -7.7964    -0.6239	C.3	1	noname	-0.0370
16	C11    11.3773    -6.9624    -0.0558	C.3	1	noname	-0.0467
17	C12    10.6943    -5.1214     1.5730	C.3	1	noname	0.0475
18	C13    10.6313    -8.0023    -0.9029	C.3	1	noname	-0.0514
19	O2     9.6963    -4.1444     1.8361	O.3	1	noname	-0.3959
20	H1     2.4538    -3.4366     0.5718	H	1	noname	0.1368
21	H2     4.5267    -2.3996     0.2338	H	1	noname	0.0754
22	H3     6.5366    -3.7385     0.2688	H	1	noname	0.0641
23	H4     5.1156    -9.3054     1.2528	H	1	noname	0.1062
24	H5     8.0095    -5.0184     0.3559	H	1	noname	0.1299
25	H6     9.1264    -7.3054     1.4799	H	1	noname	0.0472
26	H7    10.1653    -5.2484    -0.5198	H	1	noname	0.0342
27	H8     8.6524    -7.3903    -1.5149	H	1	noname	0.0282
28	H9     8.6584    -8.7363    -0.3429	H	1	noname	0.0282
29	H10    12.1903    -6.5033    -0.6188	H	1	noname	0.0271
30	H11    11.7683    -7.4403     0.8431	H	1	noname	0.0271
31	H12    10.7843    -5.7883     2.4310	H	1	noname	0.0566
32	H13    11.6483    -4.6204     1.4050	H	1	noname	0.0566
33	H14    10.9403    -9.0092    -0.6189	H	1	noname	0.0267
34	H15    10.8353    -7.8393    -1.9618	H	1	noname	0.0267
35	H16     9.8693    -3.5933     2.6281	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	20	1
6	4	6	2
7	4	7	1
8	5	8	2
9	5	21	1
10	6	9	1
11	7	10	2
12	7	8	1
13	8	22	1
14	9	11	2
15	9	23	1
16	10	12	1
17	10	11	1
18	12	13	1
19	12	24	1
20	13	14	1
21	13	15	1
22	13	25	1
23	14	16	1
24	14	17	1
25	14	26	1
26	15	18	1
27	15	27	1
28	15	28	1
29	16	18	1
30	16	29	1
31	16	30	1
32	17	19	1
33	17	31	1
34	17	32	1
35	18	33	1
36	18	34	1
37	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1