@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441548
33 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.8242    -8.5781     1.0584	O.2	1	noname	-0.2810
2	C1     3.9523    -8.0900     0.8264	C.2	1	noname	0.0635
3	N1     4.0362    -6.7699     0.4944	N.3	1	noname	0.0141
4	C2     5.1283    -8.8750     0.9005	C.2	1	noname	0.0620
5	C3     5.2233    -6.1578     0.2245	C.2	1	noname	-0.0814
6	N2     5.0743   -10.1901     1.2275	N.2	1	noname	-0.2192
7	C4     6.3744    -8.2609     0.6245	C.2	1	noname	0.0475
8	C5     6.4183    -6.8838     0.2835	C.2	1	noname	-0.0121
9	C6     6.1903   -10.9491     1.3005	C.2	1	noname	0.0554
10	C7     7.5224    -9.0759     0.7095	C.2	1	noname	0.0578
11	N3     7.3914   -10.3850     1.0416	N.2	1	noname	-0.2208
12	N4     8.7555    -8.5758     0.4646	N.3	1	noname	-0.1020
13	C8     9.9405    -9.3568     0.5336	C.3	1	noname	0.0063
14	C9    11.1906    -8.5088     0.2166	C.3	1	noname	-0.0252
15	C10    12.4356    -9.4108     0.3037	C.3	1	noname	-0.0589
16	C11    11.0955    -7.9227    -1.2043	C.3	1	noname	-0.0589
17	C12    11.3325    -7.3626     1.2367	C.3	1	noname	-0.0589
18	H1     3.2182    -6.2518     0.4495	H	1	noname	0.1368
19	H2     5.2402    -5.1667    -0.0194	H	1	noname	0.0754
20	H3     7.3033    -6.4188     0.0805	H	1	noname	0.0641
21	H4     6.1273   -11.9361     1.5486	H	1	noname	0.1062
22	H5     8.8384    -7.6398     0.2306	H	1	noname	0.1296
23	H6    10.0385    -9.7748     1.5377	H	1	noname	0.0437
24	H7     9.8745   -10.1768    -0.1833	H	1	noname	0.0437
25	H8    13.3316    -8.8297     0.0857	H	1	noname	0.0236
26	H9    12.5196    -9.8317     1.3058	H	1	noname	0.0236
27	H10    12.3546   -10.2248    -0.4182	H	1	noname	0.0236
28	H11    12.0025    -7.3616    -1.4353	H	1	noname	0.0236
29	H12    10.9824    -8.7297    -1.9303	H	1	noname	0.0236
30	H13    10.2374    -7.2546    -1.2792	H	1	noname	0.0236
31	H14    12.2395    -6.7935     1.0298	H	1	noname	0.0236
32	H15    10.4734    -6.6946     1.1718	H	1	noname	0.0236
33	H16    11.3894    -7.7716     2.2459	H	1	noname	0.0236
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	18	1
6	4	6	2
7	4	7	1
8	5	8	2
9	5	19	1
10	6	9	1
11	7	10	2
12	7	8	1
13	8	20	1
14	9	11	2
15	9	21	1
16	10	12	1
17	10	11	1
18	12	13	1
19	12	22	1
20	13	14	1
21	13	23	1
22	13	24	1
23	14	15	1
24	14	16	1
25	14	17	1
26	15	25	1
27	15	26	1
28	15	27	1
29	16	28	1
30	16	29	1
31	16	30	1
32	17	31	1
33	17	32	1
34	17	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1