@<TRIPOS>MOLECULE
119025642
33 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.3893    -3.5869    -1.6510	O.3	1	noname	-0.2660
2	O2     0.4244    -2.8175     2.0135	O.3	1	noname	-0.2693
3	O3    -2.9175     0.6884     2.5352	O.3	1	noname	-0.3743
4	O4    -4.6288    -7.1812    -1.8968	O.3	1	noname	-0.2848
5	C1    -0.1997    -4.4938     0.2781	C.3	1	noname	0.0548
6	C2    -0.4618    -3.2161    -0.6022	C.3	1	noname	0.1009
7	C3    -1.3700    -5.3047    -0.0721	C.2	1	noname	-0.0335
8	C4     0.0530    -4.1961     1.7878	C.3	1	noname	0.0632
9	C5    -0.9991    -2.0643     0.1863	C.2	1	noname	0.0032
10	C6    -1.9739    -4.7310    -1.2253	C.2	1	noname	0.0124
11	C7    -0.5421    -1.9558     1.5461	C.2	1	noname	0.0328
12	C8    -1.9970    -1.1997    -0.3464	C.2	1	noname	-0.0088
13	C9    -1.8484    -6.5429     0.4728	C.2	1	noname	-0.0387
14	C10    -1.0990    -1.0126     2.4487	C.2	1	noname	0.0324
15	C11    -2.5622    -0.3033     0.5745	C.2	1	noname	0.0008
16	C12    -3.0743    -5.3640    -1.8859	C.2	1	noname	-0.0019
17	C13    -2.1408    -0.2236     1.9079	C.2	1	noname	0.0406
18	C14    -2.9682    -7.1536    -0.1605	C.2	1	noname	-0.0423
19	C15    -3.5698    -6.5707    -1.3237	C.2	1	noname	0.0049
20	C16    -3.6130     0.5837     0.3806	C.2	1	noname	0.0091
21	C17    -3.8064     1.1771     1.6306	C.2	1	noname	0.0412
22	H1     0.6589    -5.0487    -0.0963	H	1	noname	0.0407
23	H2     0.4803    -2.9172    -1.0610	H	1	noname	0.0668
24	H3    -0.8455    -4.4286     2.3593	H	1	noname	0.0579
25	H4     0.8334    -4.8626     2.1549	H	1	noname	0.0579
26	H5    -2.2806    -1.2295    -1.3257	H	1	noname	0.0634
27	H6    -1.4024    -6.9702     1.2845	H	1	noname	0.0627
28	H7    -0.7740    -0.9119     3.4102	H	1	noname	0.0678
29	H8    -3.4872    -4.9639    -2.7284	H	1	noname	0.0677
30	H9    -3.3486    -8.0201     0.2201	H	1	noname	0.0650
31	H10    -4.1283     0.7620    -0.4814	H	1	noname	0.0651
32	H11    -4.5165     1.8799     1.8359	H	1	noname	0.0901
33	H12    -4.8475    -7.9945    -1.3957	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	6	1
2	1	10	1
3	2	8	1
4	2	11	1
5	3	17	1
6	3	21	1
7	4	19	1
8	4	33	1
9	5	6	1
10	5	7	1
11	5	8	1
12	5	22	1
13	6	9	1
14	6	23	1
15	7	10	2
16	7	13	1
17	8	24	1
18	8	25	1
19	9	11	2
20	9	12	1
21	10	16	1
22	11	14	1
23	12	15	2
24	12	26	1
25	13	18	2
26	13	27	1
27	14	17	2
28	14	28	1
29	15	17	1
30	15	20	1
31	16	19	2
32	16	29	1
33	18	19	1
34	18	30	1
35	20	21	2
36	20	31	1
37	21	32	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1