@<TRIPOS>MOLECULE
88546062
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3972    -2.5118     5.4219	O.2	1	noname	-0.3040
2	C1     0.4917     0.3833    -0.9398	C.3	1	noname	-0.0257
3	C2     0.6454     1.7815    -0.2749	C.3	1	noname	-0.0316
4	C3     0.7171    -0.2621     0.4564	C.3	1	noname	-0.0145
5	C4     1.6376     0.9804     0.6164	C.3	1	noname	-0.0425
6	C5    -0.6659     2.2140     0.5247	C.3	1	noname	-0.0314
7	C6    -0.5046    -0.1370     1.3079	C.2	1	noname	-0.0748
8	C7    -0.9632     0.1790    -1.3672	C.3	1	noname	-0.0591
9	C8     1.6083     0.0655    -1.9363	C.3	1	noname	-0.0591
10	C9    -1.1602     1.0563     1.3328	C.2	1	noname	-0.0794
11	C10    -0.9746    -1.2455     2.0793	C.3	1	noname	-0.0199
12	C11    -0.3251    -1.2151     3.4643	C.3	1	noname	0.0240
13	C12     1.1951    -1.3045     3.3167	C.3	1	noname	-0.0529
14	C13    -0.6929     0.0909     4.1715	C.3	1	noname	-0.0529
15	C14    -0.8050    -2.3469     4.2519	C.2	1	noname	0.1269
16	H1     1.0759     2.5687    -0.8939	H	1	noname	0.0312
17	H2     1.1974    -1.2404     0.4780	H	1	noname	0.0354
18	H3     1.5805     1.3452     1.6420	H	1	noname	0.0276
19	H4     2.6170     0.8498     0.1563	H	1	noname	0.0276
20	H5    -1.4377     2.5200    -0.1816	H	1	noname	0.0313
21	H6    -0.5141     3.0968     1.1458	H	1	noname	0.0313
22	H7     1.4427    -0.9230    -2.3646	H	1	noname	0.0236
23	H8     1.6084     0.8108    -2.7317	H	1	noname	0.0236
24	H9     2.5695     0.0824    -1.4225	H	1	noname	0.0236
25	H10    -1.0709    -0.8005    -1.8331	H	1	noname	0.0236
26	H11    -1.6106     0.2385    -0.4924	H	1	noname	0.0236
27	H12    -1.2444     0.9536    -2.0807	H	1	noname	0.0236
28	H13    -1.9714     1.1586     1.8909	H	1	noname	0.0575
29	H14    -2.0577    -1.1818     2.1845	H	1	noname	0.0322
30	H15    -0.7126    -2.1759     1.5755	H	1	noname	0.0322
31	H16     1.6579    -1.2828     4.3033	H	1	noname	0.0240
32	H17     1.4571    -2.2349     2.8128	H	1	noname	0.0240
33	H18     1.5534    -0.4596     2.7287	H	1	noname	0.0240
34	H19    -0.2301     0.1126     5.1581	H	1	noname	0.0240
35	H20    -1.7759     0.1546     4.2766	H	1	noname	0.0240
36	H21    -0.3346     0.9358     3.5835	H	1	noname	0.0240
37	H22    -1.4731    -3.0030     3.8474	H	1	noname	0.1047
@<TRIPOS>BOND
1	1	15	2
2	2	3	1
3	2	4	1
4	2	8	1
5	2	9	1
6	3	5	1
7	3	6	1
8	3	16	1
9	4	5	1
10	4	7	1
11	4	17	1
12	5	18	1
13	5	19	1
14	6	10	1
15	6	20	1
16	6	21	1
17	7	10	2
18	7	11	1
19	8	25	1
20	8	26	1
21	8	27	1
22	9	22	1
23	9	23	1
24	9	24	1
25	10	28	1
26	11	12	1
27	11	29	1
28	11	30	1
29	12	13	1
30	12	14	1
31	12	15	1
32	13	31	1
33	13	32	1
34	13	33	1
35	14	34	1
36	14	35	1
37	14	36	1
38	15	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1