@<TRIPOS>MOLECULE
57731298
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9382    -0.8652     0.4559	O.3	1	noname	-0.2065
2	O2    -3.8173    -1.3055     1.3686	O.2	1	noname	-0.2611
3	C1     0.0041     0.0571    -0.2850	C.2	1	noname	-0.0434
4	C2    -0.7860    -1.1508    -0.2894	C.3	1	noname	0.0818
5	C3     0.4599     0.5875     0.9402	C.2	1	noname	-0.0497
6	C4     0.2948     0.6699    -1.5149	C.2	1	noname	-0.0497
7	C5     1.2526     1.7414     0.9172	C.2	1	noname	-0.0585
8	C6     1.0885     1.8183    -1.5249	C.2	1	noname	-0.0585
9	C7     1.5690     2.3532    -0.3131	C.2	1	noname	-0.0611
10	C8    -2.8985    -1.7877     0.6666	C.2	1	noname	0.0933
11	C9    -2.8464    -3.1019     0.1473	C.2	1	noname	0.0478
12	C10    -3.7371    -4.1033     0.2767	C.2	1	noname	-0.0324
13	C11    -4.9910    -4.0719     0.9982	C.3	1	noname	-0.0464
14	H1    -1.1121    -1.4394    -1.2956	H	1	noname	0.0624
15	H2    -0.2351    -1.9636     0.1919	H	1	noname	0.0624
16	H3     0.2236     0.1358     1.8362	H	1	noname	0.0626
17	H4    -0.0574     0.2753    -2.3956	H	1	noname	0.0626
18	H5     1.5997     2.1292     1.7956	H	1	noname	0.0622
19	H6     1.3138     2.2540    -2.4186	H	1	noname	0.0622
20	H7     2.1486     3.1898    -0.3291	H	1	noname	0.0622
21	H8    -2.0443    -3.3683    -0.4061	H	1	noname	0.0682
22	H9    -3.5045    -4.9621    -0.1764	H	1	noname	0.0575
23	H10    -5.1899    -3.1134     1.4693	H	1	noname	0.0273
24	H11    -5.8071    -4.3194     0.3194	H	1	noname	0.0273
25	H12    -4.9879    -4.8815     1.7281	H	1	noname	0.0273
@<TRIPOS>BOND
1	1	4	1
2	1	10	1
3	2	10	2
4	3	4	1
5	3	5	2
6	3	6	1
7	4	14	1
8	4	15	1
9	5	7	1
10	5	16	1
11	6	8	2
12	6	17	1
13	7	9	2
14	7	18	1
15	8	9	1
16	8	19	1
17	9	20	1
18	10	11	1
19	11	12	2
20	11	21	1
21	12	13	1
22	12	22	1
23	13	23	1
24	13	24	1
25	13	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1