@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443641
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     8.6054    -7.3975     0.1715	O.2	1	noname	-0.2784
2	C1     9.3344    -7.2834     1.1816	C.2	1	noname	0.0792
3	N1     9.1623    -7.9184     2.3356	N.3	1	noname	0.0517
4	C2    10.4433    -6.4974     1.3226	C.2	1	noname	0.0758
5	C3    10.1483    -7.5233     3.1506	C.2	1	noname	-0.0545
6	N2    10.9023    -6.6624     2.5166	N.2	1	noname	-0.2007
7	C4    10.9452    -5.6883     0.3777	C.2	1	noname	0.0208
8	N3    10.3702    -7.9023     4.4297	N.3	1	noname	-0.0057
9	C5    12.0642    -4.8933     0.5327	C.2	1	noname	-0.0425
10	C6     9.6272    -8.7872     5.1417	C.2	1	noname	-0.0309
11	C7    12.0392    -3.5683     0.0498	C.2	1	noname	-0.0450
12	C8    13.2491    -5.3793     1.1288	C.2	1	noname	-0.0450
13	C9     9.1202    -9.9872     4.5957	C.2	1	noname	-0.0573
14	C10     9.4041    -8.5082     6.5037	C.2	1	noname	-0.0573
15	C11    13.1671    -2.7392     0.1768	C.2	1	noname	-0.0574
16	C12    14.3771    -4.5512     1.2568	C.2	1	noname	-0.0574
17	C13     8.3841   -10.8782     5.3947	C.2	1	noname	-0.0627
18	C14     8.6691    -9.3982     7.3047	C.2	1	noname	-0.0627
19	C15    14.3351    -3.2292     0.7818	C.2	1	noname	-0.0565
20	C16     8.1571   -10.5831     6.7498	C.2	1	noname	-0.0824
21	H1     8.4543    -8.5453     2.5457	H	1	noname	0.1401
22	H2    10.4672    -5.6383    -0.4922	H	1	noname	0.0653
23	H3    11.1032    -7.4673     4.8927	H	1	noname	0.1367
24	H4    11.1971    -3.1993    -0.3951	H	1	noname	0.0628
25	H5    13.2981    -6.3412     1.4688	H	1	noname	0.0628
26	H6     9.2941   -10.2222     3.6178	H	1	noname	0.0639
27	H7     9.7761    -7.6522     6.9178	H	1	noname	0.0639
28	H8    13.1370    -1.7802    -0.1711	H	1	noname	0.0622
29	H9    15.2270    -4.9102     1.6918	H	1	noname	0.0622
30	H10     8.0191   -11.7421     4.9928	H	1	noname	0.0623
31	H11     8.5091    -9.1861     8.2898	H	1	noname	0.0623
32	H12    15.1540    -2.6281     0.8738	H	1	noname	0.0622
33	H13     7.6241   -11.2311     7.3308	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	21	1
6	4	6	1
7	4	7	2
8	5	8	1
9	5	6	2
10	7	9	1
11	7	22	1
12	8	10	1
13	8	23	1
14	9	11	2
15	9	12	1
16	10	13	2
17	10	14	1
18	11	15	1
19	11	24	1
20	12	16	2
21	12	25	1
22	13	17	1
23	13	26	1
24	14	18	2
25	14	27	1
26	15	19	2
27	15	28	1
28	16	19	1
29	16	29	1
30	17	20	2
31	17	30	1
32	18	20	1
33	18	31	1
34	19	32	1
35	20	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1