@<TRIPOS>MOLECULE
101053797
33 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.0047     1.2640    -1.5074	O.3	1	noname	-0.3599
2	C1     2.9149     1.8511    -0.7925	C.3	1	noname	0.1145
3	C2     4.3486     2.3065    -0.5850	C.3	1	noname	0.1074
4	C3     2.3239     0.9575     0.2559	C.2	1	noname	-0.0165
5	C4     0.9379     0.6023     0.2734	C.2	1	noname	-0.0202
6	C5     3.1763     0.5024     1.3129	C.2	1	noname	-0.0222
7	C6     5.0804     1.7397     0.5257	C.2	1	noname	-0.0512
8	C7     0.4442    -0.1273     1.4031	C.2	1	noname	-0.0182
9	C8     4.5034     0.8871     1.3847	C.2	1	noname	-0.0420
10	C9     1.3121    -0.5562     2.4598	C.2	1	noname	-0.0301
11	C10    -0.9520    -0.4284     1.5014	C.2	1	noname	-0.0194
12	C11     2.6947    -0.2752     2.3838	C.2	1	noname	-0.0327
13	C12     0.0282     0.9760    -0.7538	C.2	1	noname	-0.0376
14	C13    -1.8421     0.0261     0.4796	C.2	1	noname	-0.0333
15	C14    -1.4484    -1.1729     2.6191	C.2	1	noname	-0.0333
16	C15     0.7936    -1.2408     3.5875	C.2	1	noname	-0.0411
17	C16    -1.3560     0.7022    -0.6425	C.2	1	noname	-0.0411
18	C17    -0.5891    -1.5588     3.6544	C.2	1	noname	-0.0417
19	C18    -3.2279    -0.2592     0.5884	C.2	1	noname	-0.0456
20	C19    -2.8148    -1.5552     2.6444	C.2	1	noname	-0.0456
21	C20    -3.6928    -1.0718     1.6479	C.2	1	noname	-0.0529
22	H1     2.2855     2.4184    -1.4821	H	1	noname	0.0686
23	H2     4.7372     3.1756    -1.1232	H	1	noname	0.0680
24	H3     6.0302     1.9871     0.6551	H	1	noname	0.0604
25	H4     5.0591     0.5110     2.1126	H	1	noname	0.0626
26	H5     3.3347    -0.6305     3.0941	H	1	noname	0.0635
27	H6     0.3795     1.4501    -1.5858	H	1	noname	0.0629
28	H7     1.4145    -1.5055     4.3522	H	1	noname	0.0629
29	H8    -1.9967     0.9974    -1.3792	H	1	noname	0.0629
30	H9    -0.9563    -2.0689     4.4578	H	1	noname	0.0629
31	H10    -3.8848     0.1196    -0.0938	H	1	noname	0.0629
32	H11    -3.1611    -2.1747     3.3769	H	1	noname	0.0629
33	H12    -4.6825    -1.3143     1.6940	H	1	noname	0.0623
@<TRIPOS>BOND
1	2	1	1
2	3	1	1
3	2	3	1
4	2	4	1
5	2	22	1
6	3	7	1
7	3	23	1
8	4	5	1
9	4	6	2
10	5	8	2
11	5	13	1
12	6	9	1
13	6	12	1
14	7	9	2
15	7	24	1
16	8	10	1
17	8	11	1
18	9	25	1
19	10	12	2
20	10	16	1
21	11	14	1
22	11	15	2
23	12	26	1
24	13	17	2
25	13	27	1
26	14	17	1
27	14	19	2
28	15	18	1
29	15	20	1
30	16	18	2
31	16	28	1
32	17	29	1
33	18	30	1
34	19	21	1
35	19	31	1
36	20	21	2
37	20	32	1
38	21	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1