@<TRIPOS>MOLECULE
119081344
35 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.2437     4.0841    -1.6687	O.3	1	noname	-0.3879
2	C1     0.0242    -0.0003     0.1867	C.2	1	noname	-0.0170
3	C2     1.4433     2.3911    -0.1924	C.2	1	noname	-0.0259
4	C3     1.4060    -0.0925    -0.1604	C.2	1	noname	-0.0248
5	C4     2.1149     1.1309    -0.2908	C.2	1	noname	-0.0167
6	C5    -0.6731    -1.2198     0.4399	C.2	1	noname	-0.0189
7	C6     2.2148     3.6721    -0.3102	C.3	1	noname	0.0832
8	C7    -0.6555     1.2511     0.3390	C.2	1	noname	-0.0331
9	C8     0.0652     2.4493     0.1216	C.2	1	noname	-0.0301
10	C9     3.6838     3.4931     0.2136	C.3	1	noname	-0.0042
11	C10     0.0208    -2.4753     0.3330	C.2	1	noname	-0.0332
12	C11    -2.0573    -1.1802     0.7952	C.2	1	noname	-0.0333
13	C12     2.0616    -1.3564    -0.2721	C.2	1	noname	-0.0385
14	C13     3.5149     1.1530    -0.4542	C.2	1	noname	-0.0483
15	C14    -2.0343     1.2788     0.6986	C.2	1	noname	-0.0419
16	C15     4.2625     2.2498    -0.2533	C.2	1	noname	-0.0698
17	C16     1.3810    -2.5545    -0.0089	C.2	1	noname	-0.0411
18	C17    -2.7328     0.0623     0.9164	C.2	1	noname	-0.0418
19	C18    -0.6746    -3.6852     0.5486	C.2	1	noname	-0.0455
20	C19    -2.7258    -2.4158     1.0072	C.2	1	noname	-0.0456
21	C20    -2.0439    -3.6569     0.8821	C.2	1	noname	-0.0529
22	H1     1.6919     4.4880     0.1887	H	1	noname	0.0655
23	H2    -0.4068     3.3508     0.1910	H	1	noname	0.0633
24	H3     3.6852     3.5077     1.3035	H	1	noname	0.0340
25	H4     4.3214     4.3377    -0.0473	H	1	noname	0.0340
26	H5     3.0429    -1.3885    -0.5484	H	1	noname	0.0629
27	H6     3.9694     0.3181    -0.7309	H	1	noname	0.0625
28	H7    -2.5182     2.1710     0.7994	H	1	noname	0.0629
29	H8     5.2358     2.2078    -0.4291	H	1	noname	0.0577
30	H9     1.8585    -3.4542    -0.0641	H	1	noname	0.0629
31	H10    -3.7229     0.0811     1.1607	H	1	noname	0.0629
32	H11    -0.1875    -4.5772     0.4632	H	1	noname	0.0629
33	H12    -3.7154    -2.4123     1.2542	H	1	noname	0.0629
34	H13    -2.5476    -4.5306     1.0342	H	1	noname	0.0623
35	H14     2.7477     4.9210    -1.7456	H	1	noname	0.2109
@<TRIPOS>BOND
1	7	1	1
2	1	35	1
3	2	4	2
4	2	6	1
5	2	8	1
6	3	5	2
7	3	7	1
8	3	9	1
9	4	5	1
10	4	13	1
11	5	14	1
12	6	11	1
13	6	12	2
14	7	10	1
15	7	22	1
16	8	9	2
17	8	15	1
18	9	23	1
19	10	16	1
20	10	24	1
21	10	25	1
22	11	17	1
23	11	19	2
24	12	18	1
25	12	20	1
26	13	17	2
27	13	26	1
28	14	16	2
29	14	27	1
30	15	18	2
31	15	28	1
32	16	29	1
33	17	30	1
34	18	31	1
35	19	21	1
36	19	32	1
37	20	21	2
38	20	33	1
39	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1