@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441541
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9537    -7.6523     1.0653	O.2	1	noname	-0.2810
2	C1     3.0417    -7.0673     0.8683	C.2	1	noname	0.0635
3	N1     3.0346    -5.7142     0.7344	N.3	1	noname	0.0141
4	C2     4.2607    -7.7823     0.7614	C.2	1	noname	0.0624
5	C3     4.1656    -5.0071     0.4734	C.2	1	noname	-0.0814
6	N2     4.2487    -9.1343     0.8134	N.2	1	noname	-0.2182
7	C4     5.4767    -7.0732     0.5614	C.2	1	noname	0.0491
8	C5     5.3956    -5.6661     0.3654	C.2	1	noname	-0.0117
9	C6     5.3786    -9.8532     0.6705	C.2	1	noname	0.0557
10	C7     6.6717    -7.8451     0.4884	C.2	1	noname	0.0591
11	N3     6.5476    -9.1992     0.5135	N.2	1	noname	-0.2192
12	N4     7.9777    -7.3921     0.4165	N.3	1	noname	-0.0925
13	C8     8.4337    -6.1300     0.9415	C.3	1	noname	0.0155
14	C9     8.9647    -8.2861    -0.1184	C.3	1	noname	-0.0067
15	C10     9.5787    -6.2510     1.9596	C.3	1	noname	-0.0371
16	C11     9.0067    -5.1809    -0.1184	C.3	1	noname	-0.0371
17	C12    10.2117    -4.8539     1.9976	C.3	1	noname	-0.0517
18	C13     9.8107    -4.1558     0.6886	C.3	1	noname	-0.0517
19	H1     2.1896    -5.2441     0.8074	H	1	noname	0.1368
20	H2     4.1156    -3.9960     0.3454	H	1	noname	0.0754
21	H3     6.2126    -5.1160     0.1185	H	1	noname	0.0641
22	H4     5.3526   -10.8732     0.6955	H	1	noname	0.1062
23	H5     7.6496    -5.6150     1.4916	H	1	noname	0.0471
24	H6     9.9317    -7.8020    -0.2464	H	1	noname	0.0398
25	H7     9.0937    -9.1401     0.5486	H	1	noname	0.0398
26	H8     8.6446    -8.6450    -1.0984	H	1	noname	0.0398
27	H9    10.3307    -6.9699     1.6396	H	1	noname	0.0282
28	H10     9.1976    -6.5329     2.9417	H	1	noname	0.0282
29	H11     9.6776    -5.7149    -0.7924	H	1	noname	0.0282
30	H12     8.2196    -4.6959    -0.6943	H	1	noname	0.0282
31	H13     9.8206    -4.2928     2.8477	H	1	noname	0.0267
32	H14    11.2967    -4.9318     2.0757	H	1	noname	0.0267
33	H15     9.1816    -3.2928     0.9136	H	1	noname	0.0267
34	H16    10.6917    -3.8358     0.1316	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	14	1
20	13	15	1
21	13	16	1
22	13	23	1
23	14	24	1
24	14	25	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