@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441090
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    11.5690    -8.4282    -0.0866	O.2	1	noname	-0.2773
2	C1    10.4969    -8.0172     0.4124	C.2	1	noname	0.1271
3	N1     9.5349    -8.8511     0.8834	N.3	1	noname	-0.1399
4	C2    10.2579    -6.5761     0.4704	C.3	1	noname	0.0098
5	C3     9.5729   -10.2100     0.8965	C.2	1	noname	-0.0174
6	C4    10.7448   -10.9559     1.1465	C.2	1	noname	-0.0214
7	C5     8.3608   -10.8930     0.6955	C.2	1	noname	-0.0345
8	C6    10.7397   -12.3719     1.1626	C.2	1	noname	-0.0322
9	C7     8.3258   -12.2949     0.7125	C.2	1	noname	-0.0495
10	C8    11.9387   -13.1148     1.3936	C.2	1	noname	-0.0284
11	C9     9.5037   -13.0249     0.9396	C.2	1	noname	-0.0469
12	C10    13.2086   -12.6228     0.9797	C.2	1	noname	0.0141
13	C11    11.9136   -14.3788     2.0396	C.2	1	noname	-0.0044
14	N2    14.3536   -13.3287     1.1917	N.2	1	noname	-0.2386
15	C12    13.1156   -15.0727     2.2367	C.2	1	noname	0.0184
16	C13    14.3115   -14.5317     1.8077	C.2	1	noname	0.0807
17	C14    13.4365   -16.2917     2.8147	C.2	1	noname	0.0296
18	N3    15.2785   -15.4016     2.1248	N.3	1	noname	-0.0054
19	N4    14.7724   -16.4436     2.7188	N.2	1	noname	-0.3304
20	C15    12.5085   -17.2486     3.4198	C.3	1	noname	0.0444
21	H1     8.7189    -8.4341     1.2004	H	1	noname	0.1370
22	H2    11.1108    -6.0381     0.0545	H	1	noname	0.0324
23	H3     9.3648    -6.3311    -0.1055	H	1	noname	0.0324
24	H4    10.1139    -6.2721     1.5074	H	1	noname	0.0324
25	H5    11.6117   -10.4509     1.3325	H	1	noname	0.0645
26	H6     7.4998   -10.3709     0.5285	H	1	noname	0.0639
27	H7     7.4437   -12.7848     0.5576	H	1	noname	0.0623
28	H8     9.4487   -14.0438     0.9306	H	1	noname	0.0629
29	H9    13.2826   -11.7257     0.4997	H	1	noname	0.0846
30	H10    11.0396   -14.7877     2.3727	H	1	noname	0.0637
31	H11    16.2204   -15.2726     1.9378	H	1	noname	0.1771
32	H12    13.0604   -18.1145     3.7838	H	1	noname	0.0296
33	H13    11.9885   -16.7776     4.2548	H	1	noname	0.0296
34	H14    11.7794   -17.5735     2.6768	H	1	noname	0.0296
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	21	1
6	4	22	1
7	4	23	1
8	4	24	1
9	5	6	2
10	5	7	1
11	6	8	1
12	6	25	1
13	7	9	2
14	7	26	1
15	8	10	1
16	8	11	2
17	9	11	1
18	9	27	1
19	10	12	2
20	10	13	1
21	11	28	1
22	12	14	1
23	12	29	1
24	13	15	2
25	13	30	1
26	14	16	2
27	15	17	1
28	15	16	1
29	16	18	1
30	17	19	2
31	17	20	1
32	18	19	1
33	18	31	1
34	20	32	1
35	20	33	1
36	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1