@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443943
33 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    10.9374    -6.6739     2.0768	O.3	1	noname	-0.3618
2	C1    11.5934    -5.7329     2.8028	C.2	1	noname	0.0593
3	C2    10.0763    -5.9849     1.2858	C.2	1	noname	0.0982
4	C3    12.5904    -5.8678     3.7769	C.2	1	noname	0.0951
5	C4    11.1563    -4.4508     2.4809	C.2	1	noname	0.1151
6	C5    10.1853    -4.6118     1.5079	C.2	1	noname	0.1034
7	C6     9.1542    -6.4578     0.3398	C.2	1	noname	0.0220
8	N1    13.0724    -4.7297     4.3530	N.2	1	noname	-0.2068
9	N2    13.0334    -7.1029     4.1080	N.3	1	noname	0.0168
10	N3    11.6613    -3.3457     3.0749	N.2	1	noname	-0.2097
11	N4     9.4232    -3.7177     0.8309	N.2	1	noname	-0.2134
12	C7     8.3651    -5.5238    -0.3601	C.2	1	noname	-0.0070
13	C8    12.6263    -3.4886     4.0190	C.2	1	noname	0.0652
14	C9    13.9854    -7.3348     5.0391	C.2	1	noname	-0.0297
15	C10     8.5201    -4.1456    -0.0940	C.2	1	noname	0.0088
16	C11    15.3444    -7.3848     4.6611	C.2	1	noname	-0.0137
17	C12    13.6163    -7.5468     6.3872	C.2	1	noname	-0.0546
18	C13    16.3084    -7.6378     5.6492	C.2	1	noname	0.0297
19	C14    14.5973    -7.7998     7.3662	C.2	1	noname	-0.0188
20	O2    17.6434    -7.7257     5.5162	O.3	1	noname	-0.2446
21	C15    15.9433    -7.8407     6.9713	C.2	1	noname	0.0078
22	C16    18.1534    -7.9997     6.8303	C.3	1	noname	0.1587
23	O3    17.0323    -8.0637     7.7264	O.3	1	noname	-0.2491
24	H1     9.0582    -7.4578     0.1638	H	1	noname	0.0651
25	H2    12.6433    -7.8658     3.6540	H	1	noname	0.1358
26	H3     7.6871    -5.8407    -1.0531	H	1	noname	0.0639
27	H4    13.0173    -2.6655     4.4781	H	1	noname	0.1062
28	H5     7.9521    -3.4646    -0.5990	H	1	noname	0.0839
29	H6    15.6244    -7.2377     3.6911	H	1	noname	0.0667
30	H7    12.6323    -7.5137     6.6572	H	1	noname	0.0640
31	H8    14.3363    -7.9517     8.3403	H	1	noname	0.0651
32	H9    18.8323    -7.2036     7.1394	H	1	noname	0.0892
33	H10    18.6834    -8.9537     6.8314	H	1	noname	0.0892
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	1
8	4	9	1
9	5	10	2
10	5	6	1
11	6	11	1
12	7	12	2
13	7	24	1
14	8	13	2
15	9	14	1
16	9	25	1
17	10	13	1
18	11	15	2
19	12	15	1
20	12	26	1
21	13	27	1
22	14	16	2
23	14	17	1
24	15	28	1
25	16	18	1
26	16	29	1
27	17	19	2
28	17	30	1
29	18	20	1
30	18	21	2
31	19	21	1
32	19	31	1
33	20	22	1
34	21	23	1
35	22	23	1
36	22	32	1
37	22	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1