@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441551
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.6275    -8.5546     0.9776	O.2	1	noname	-0.2810
2	C1     5.7615    -8.0756     0.7577	C.2	1	noname	0.0635
3	N1     5.8615    -6.7535     0.4417	N.3	1	noname	0.0141
4	C2     6.9295    -8.8736     0.8297	C.2	1	noname	0.0620
5	C3     7.0564    -6.1505     0.1858	C.2	1	noname	-0.0814
6	N2     6.8604   -10.1916     1.1428	N.2	1	noname	-0.2192
7	C4     8.1834    -8.2695     0.5698	C.2	1	noname	0.0475
8	C5     8.2434    -6.8895     0.2428	C.2	1	noname	-0.0121
9	C6     7.9684   -10.9625     1.2158	C.2	1	noname	0.0554
10	C7     9.3234    -9.0965     0.6548	C.2	1	noname	0.0578
11	N3     9.1774   -10.4075     0.9729	N.2	1	noname	-0.2209
12	N4    10.5644    -8.6064     0.4269	N.3	1	noname	-0.1022
13	C8    11.7383    -9.3994     0.5059	C.3	1	noname	0.0043
14	C9    12.9723    -8.5293     0.2170	C.3	1	noname	-0.0284
15	C10    14.2763    -9.3293     0.2810	C.3	1	noname	-0.0492
16	C11    12.9853    -7.9663    -1.2079	C.3	1	noname	-0.0492
17	C12    15.2822    -8.4873    -0.5129	C.3	1	noname	-0.0530
18	C13    14.4542    -7.6152    -1.4699	C.3	1	noname	-0.0530
19	H1     5.0494    -6.2265     0.3978	H	1	noname	0.1368
20	H2     7.0854    -5.1574    -0.0471	H	1	noname	0.0754
21	H3     9.1344    -6.4304     0.0508	H	1	noname	0.0641
22	H4     7.8924   -11.9515     1.4529	H	1	noname	0.1062
23	H5    10.6583    -7.6694     0.1999	H	1	noname	0.1296
24	H6    11.8303    -9.8204     1.5080	H	1	noname	0.0435
25	H7    11.6873   -10.2123    -0.2210	H	1	noname	0.0435
26	H8    13.0222    -7.7062     0.9320	H	1	noname	0.0316
27	H9    14.1462   -10.2963    -0.2078	H	1	noname	0.0270
28	H10    14.6033    -9.4712     1.3111	H	1	noname	0.0270
29	H11    12.6632    -8.7332    -1.9149	H	1	noname	0.0270
30	H12    12.3462    -7.0872    -1.2929	H	1	noname	0.0270
31	H13    15.8482    -7.8492     0.1681	H	1	noname	0.0267
32	H14    15.9652    -9.1322    -1.0668	H	1	noname	0.0267
33	H15    14.6282    -6.5622    -1.2469	H	1	noname	0.0267
34	H16    14.7162    -7.8212    -2.5079	H	1	noname	0.0267
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	19	1
6	4	6	2
7	4	7	1
8	5	8	2
9	5	20	1
10	6	9	1
11	7	10	2
12	7	8	1
13	8	21	1
14	9	11	2
15	9	22	1
16	10	12	1
17	10	11	1
18	12	13	1
19	12	23	1
20	13	14	1
21	13	24	1
22	13	25	1
23	14	15	1
24	14	16	1
25	14	26	1
26	15	17	1
27	15	27	1
28	15	28	1
29	16	18	1
30	16	29	1
31	16	30	1
32	17	18	1
33	17	31	1
34	17	32	1
35	18	33	1
36	18	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1