@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445947
33 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.4820    -3.5691     5.9244	O.2	1	noname	-0.2913
2	C1     4.4849    -4.3151     5.8355	C.2	1	noname	0.0640
3	C2     5.5029    -4.1831     6.8045	C.2	1	noname	0.0047
4	C3     4.5639    -5.2251     4.7605	C.2	1	noname	-0.0607
5	C4     6.0109    -2.9040     7.1176	C.2	1	noname	0.0167
6	C5     6.0119    -5.3070     7.4896	C.2	1	noname	0.0167
7	N1     5.5899    -6.0621     4.5015	N.3	1	noname	-0.0252
8	C6     3.5988    -5.4110     3.7685	C.2	1	noname	0.0050
9	C7     7.0159    -2.7799     8.0897	C.2	1	noname	0.0115
10	C8     7.0169    -5.1300     8.4547	C.2	1	noname	0.0115
11	C9     5.3218    -6.7720     3.3955	C.2	1	noname	-0.0628
12	C10     4.0758    -6.3900     2.9035	C.2	1	noname	-0.0145
13	N2     7.4829    -3.8849     8.7197	N.2	1	noname	-0.2349
14	C11     6.0898    -7.7530     2.7525	C.2	1	noname	-0.0363
15	C12     3.5367    -6.9730     1.7385	C.2	1	noname	-0.0238
16	C13     5.5738    -8.3530     1.5876	C.2	1	noname	-0.0366
17	C14     4.3087    -7.9730     1.0755	C.2	1	noname	-0.0345
18	C15     2.2786    -6.6019     1.2175	C.2	1	noname	-0.0423
19	C16     3.8017    -8.5770    -0.0924	C.2	1	noname	-0.0466
20	C17     1.7876    -7.2149     0.0525	C.2	1	noname	-0.0561
21	C18     2.5466    -8.1989    -0.6004	C.2	1	noname	-0.0568
22	H1     5.6579    -2.0699     6.6456	H	1	noname	0.0646
23	H2     5.6579    -6.2450     7.2976	H	1	noname	0.0646
24	H3     6.3979    -6.1370     5.0306	H	1	noname	0.1529
25	H4     2.7078    -4.9190     3.6925	H	1	noname	0.0651
26	H5     7.3929    -1.8609     8.3237	H	1	noname	0.0839
27	H6     7.3948    -5.9350     8.9557	H	1	noname	0.0839
28	H7     7.0008    -8.0270     3.1206	H	1	noname	0.0642
29	H8     6.1267    -9.0690     1.1146	H	1	noname	0.0629
30	H9     1.7136    -5.8879     1.6796	H	1	noname	0.0629
31	H10     4.3406    -9.2950    -0.5814	H	1	noname	0.0629
32	H11     0.8775    -6.9439    -0.3193	H	1	noname	0.0622
33	H12     2.1865    -8.6409    -1.4464	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	2
8	5	9	1
9	5	22	1
10	6	10	2
11	6	23	1
12	7	11	1
13	7	24	1
14	8	12	1
15	8	25	1
16	9	13	2
17	9	26	1
18	10	13	1
19	10	27	1
20	11	14	1
21	11	12	2
22	12	15	1
23	14	16	2
24	14	28	1
25	15	17	1
26	15	18	2
27	16	17	1
28	16	29	1
29	17	19	2
30	18	20	1
31	18	30	1
32	19	21	1
33	19	31	1
34	20	21	2
35	20	32	1
36	21	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1