@<TRIPOS>MOLECULE
50314354
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9528    -1.4562     0.0262	O.2	1	noname	-0.2792
2	C1     1.3515    -0.3762    -0.1590	C.2	1	noname	0.1082
3	C2     0.2203     0.2207     0.5237	C.2	1	noname	0.0287
4	C3     1.5588     0.6778    -1.1201	C.2	1	noname	0.0599
5	C4    -0.5045    -0.2577     1.6509	C.2	1	noname	0.0574
6	C5    -0.1237     1.4243    -0.1262	C.2	1	noname	0.0608
7	O2     0.6918     1.6989    -1.1504	O.3	1	noname	-0.1810
8	C6     2.6321     0.6636    -1.9131	C.2	1	noname	0.0280
9	O3    -0.1620    -1.3994     2.2849	O.3	1	noname	-0.2747
10	C7    -1.6148     0.5361     2.0755	C.2	1	noname	0.0003
11	C8    -1.2271     2.2235     0.2825	C.2	1	noname	0.0030
12	C9     3.1188     1.7114    -2.6786	C.2	1	noname	-0.0199
13	C10    -1.9718     1.7487     1.4017	C.2	1	noname	0.0353
14	C11     4.2110     1.6447    -3.5253	C.2	1	noname	-0.0254
15	C12     2.8036     3.0789    -2.5671	C.2	1	noname	-0.0930
16	O4    -3.0360     2.4570     1.8357	O.3	1	noname	-0.2805
17	C13     4.4893     2.9760    -3.9250	C.2	1	noname	-0.0835
18	C14     5.0514     0.5539    -3.8896	C.2	1	noname	-0.0376
19	N1     3.6297     3.8140    -3.3356	N.3	1	noname	-0.0642
20	C15     5.6260     3.3114    -4.7114	C.2	1	noname	-0.0427
21	C16     6.1865     0.8818    -4.6830	C.2	1	noname	-0.0536
22	C17     3.5948     5.2150    -3.4908	C.3	1	noname	-0.0687
23	C18     6.4803     2.2246    -5.0574	C.2	1	noname	-0.0509
24	H1     3.1590    -0.2903    -1.9378	H	1	noname	0.0658
25	H2    -0.2030    -1.2628     3.2342	H	1	noname	0.2182
26	H3    -2.2030     0.2092     2.9329	H	1	noname	0.0677
27	H4    -1.4874     3.1479    -0.2330	H	1	noname	0.0678
28	H5     2.0132     3.5170    -1.9577	H	1	noname	0.0797
29	H6    -3.0460     2.4636     2.7957	H	1	noname	0.2181
30	H7     4.8390    -0.4694    -3.5800	H	1	noname	0.0629
31	H8     5.8290     4.3343    -5.0283	H	1	noname	0.0642
32	H9     6.8494     0.0821    -5.0133	H	1	noname	0.0622
33	H10     3.5829     5.6891    -2.5094	H	1	noname	0.0436
34	H11     4.4769     5.5416    -4.0415	H	1	noname	0.0436
35	H12     2.6975     5.4972    -4.0415	H	1	noname	0.0436
36	H13     7.3876     2.4270    -5.6265	H	1	noname	0.0623
@<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	10	1
10	6	11	2
11	6	7	1
12	8	12	1
13	10	13	2
14	11	13	1
15	12	14	1
16	12	15	2
17	13	16	1
18	14	17	2
19	14	18	1
20	15	19	1
21	17	20	1
22	17	19	1
23	18	21	2
24	19	22	1
25	20	23	2
26	21	23	1
27	8	24	1
28	9	25	1
29	10	26	1
30	11	27	1
31	15	28	1
32	16	29	1
33	18	30	1
34	20	31	1
35	21	32	1
36	22	33	1
37	22	34	1
38	22	35	1
39	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1