@<TRIPOS>MOLECULE
56842492
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.6605    -1.3457    -0.3249	O.2	1	noname	-0.3074
2	C1     1.4321     0.8457    -0.7375	C.3	1	noname	0.0392
3	C2    -1.1176     1.4605    -0.0641	C.3	1	noname	0.0451
4	C3     0.8023     1.9008    -1.7530	C.3	1	noname	-0.0349
5	C4    -0.7036     2.2670    -1.3628	C.3	1	noname	-0.0408
6	C5     0.4405    -0.3191    -0.8542	C.2	1	noname	-0.0457
7	C6     1.2836     1.5757     0.6024	C.2	1	noname	-0.0457
8	C7    -0.9294     0.0175    -0.4917	C.2	1	noname	-0.0444
9	C8    -0.0934     1.9159     0.9565	C.2	1	noname	-0.0444
10	C9     2.9055     0.5589    -1.2179	C.2	1	noname	-0.0405
11	C10     0.6987    -1.5929    -1.4805	C.2	1	noname	-0.0526
12	C11     2.3540     2.1241     1.3952	C.2	1	noname	-0.0526
13	C12    -2.0186    -0.8739    -0.7593	C.2	1	noname	-0.0564
14	C13    -0.3910     2.8013     2.0379	C.2	1	noname	-0.0564
15	C14     2.0556     3.0251     2.4422	C.2	1	noname	-0.0628
16	C15    -0.3853    -2.4525    -1.7779	C.2	1	noname	-0.0628
17	C16     0.6974     3.3653     2.7569	C.2	1	noname	-0.0609
18	C17    -1.7264    -2.0968    -1.4240	C.2	1	noname	-0.0609
19	C18     3.6703    -0.2953    -0.5439	C.2	1	noname	0.0149
20	C19     4.9418    -0.5429    -0.9584	C.2	1	noname	0.0855
21	H1    -2.1584     1.6958     0.2283	H	1	noname	0.0402
22	H2     0.8268     1.4921    -2.7632	H	1	noname	0.0282
23	H3     1.3999     2.8122    -1.7743	H	1	noname	0.0282
24	H4    -1.3675     1.9982    -2.1844	H	1	noname	0.0277
25	H5    -0.7921     3.3496    -1.2715	H	1	noname	0.0277
26	H6     3.2618     1.0145    -2.0214	H	1	noname	0.0589
27	H7     1.6535    -1.8712    -1.7067	H	1	noname	0.0626
28	H8     3.3211     1.8638     1.2022	H	1	noname	0.0626
29	H9    -2.9718    -0.6392    -0.4824	H	1	noname	0.0625
30	H10    -1.3554     3.0218     2.2863	H	1	noname	0.0625
31	H11    -0.2087    -3.3386    -2.2513	H	1	noname	0.0622
32	H12     2.8158     3.4393     2.9815	H	1	noname	0.0622
33	H13     0.5095     4.0251     3.5118	H	1	noname	0.0622
34	H14    -2.4887    -2.7343    -1.6537	H	1	noname	0.0622
35	H15     3.3141    -0.7510     0.2596	H	1	noname	0.0653
36	H16     5.3088    -0.0734    -1.7862	H	1	noname	0.1091
@<TRIPOS>BOND
1	1	20	2
2	2	4	1
3	2	6	1
4	2	7	1
5	2	10	1
6	3	5	1
7	3	8	1
8	3	9	1
9	3	21	1
10	4	5	1
11	4	22	1
12	4	23	1
13	5	24	1
14	5	25	1
15	6	8	1
16	6	11	2
17	7	9	1
18	7	12	2
19	8	13	2
20	9	14	2
21	10	19	2
22	10	26	1
23	11	16	1
24	11	27	1
25	12	15	1
26	12	28	1
27	13	18	1
28	13	29	1
29	14	17	1
30	14	30	1
31	15	17	2
32	15	32	1
33	16	18	2
34	16	31	1
35	17	33	1
36	18	34	1
37	19	20	1
38	19	35	1
39	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1