@<TRIPOS>MOLECULE
71587032
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.0847    -1.5495     0.2080	O.3	1	noname	-0.3465
2	O2    -0.4491    -2.3550    -2.7948	O.3	1	noname	-0.1972
3	O3    -2.7055    -2.0420    -2.5441	O.2	1	noname	-0.2411
4	C1    -1.4889    -2.5724    -0.5968	C.3	1	noname	0.1869
5	C2    -0.6600    -1.6168     0.2971	C.3	1	noname	0.1306
6	C3    -1.8369    -4.0383    -0.1946	C.3	1	noname	-0.0137
7	C4    -0.2633    -2.0120     1.6913	C.2	1	noname	-0.0397
8	C5    -0.1541    -0.2517    -0.2445	C.3	1	noname	-0.0280
9	C6    -1.5914    -2.3141    -2.0399	C.2	1	noname	0.1584
10	C7    -2.7640    -4.2710     1.0071	C.3	1	noname	-0.0620
11	C8    -0.5971    -1.2319     2.8178	C.2	1	noname	-0.0472
12	C9     0.3555    -3.2636     1.8753	C.2	1	noname	-0.0472
13	C10    -0.4707    -1.7833     4.1084	C.2	1	noname	-0.0579
14	C11     0.3766    -3.8498     3.1567	C.2	1	noname	-0.0579
15	C12    -0.3424    -2.2764    -4.2157	C.3	1	noname	0.0537
16	C13    -0.0724    -3.1189     4.2682	C.2	1	noname	-0.0610
17	C14     1.1301    -2.3637    -4.6222	C.3	1	noname	-0.0409
18	H1    -2.2266    -4.5705    -1.0625	H	1	noname	0.0300
19	H2    -0.8872    -4.5274     0.0221	H	1	noname	0.0300
20	H3     0.9350    -0.2273    -0.2077	H	1	noname	0.0264
21	H4    -0.5565     0.5544     0.3690	H	1	noname	0.0264
22	H5    -0.4857    -0.1242    -1.2750	H	1	noname	0.0264
23	H6    -2.9061    -5.3416     1.1545	H	1	noname	0.0232
24	H7    -3.7284    -3.7991     0.8188	H	1	noname	0.0232
25	H8    -2.3158    -3.8375     1.9011	H	1	noname	0.0232
26	H9    -0.9488    -0.2657     2.7276	H	1	noname	0.0626
27	H10     0.6964    -3.7785     1.0665	H	1	noname	0.0626
28	H11    -0.6741    -1.2266     4.9396	H	1	noname	0.0622
29	H12     0.6776    -4.8316     3.2426	H	1	noname	0.0622
30	H13    -0.8936    -3.1010    -4.6677	H	1	noname	0.0570
31	H14    -0.7587    -1.3295    -4.5595	H	1	noname	0.0570
32	H15    -0.0657    -3.5616     5.1931	H	1	noname	0.0622
33	H16     1.2116    -2.3036    -5.7074	H	1	noname	0.0254
34	H17     1.5463    -3.3106    -4.2784	H	1	noname	0.0254
35	H18     1.6813    -1.5391    -4.1702	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	4	1
2	1	5	1
3	2	9	1
4	2	15	1
5	3	9	2
6	4	5	1
7	4	6	1
8	4	9	1
9	5	7	1
10	5	8	1
11	6	10	1
12	6	18	1
13	6	19	1
14	7	11	2
15	7	12	1
16	8	20	1
17	8	21	1
18	8	22	1
19	10	23	1
20	10	24	1
21	10	25	1
22	11	13	1
23	11	26	1
24	12	14	2
25	12	27	1
26	13	16	2
27	13	28	1
28	14	16	1
29	14	29	1
30	15	17	1
31	15	30	1
32	15	31	1
33	16	32	1
34	17	33	1
35	17	34	1
36	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1