@<TRIPOS>MOLECULE
57369651
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2338    -1.9461     0.6497	O.3	1	noname	0.0000
2	O2     2.8686     3.6267    -1.4251	O.2	1	noname	0.0000
3	O3    -3.3132    -6.3583     3.7676	O.2	1	noname	0.0000
4	N1    -0.3266    -4.1396     1.3736	N.3	1	noname	0.0000
5	N2     0.0759     0.2755     0.5227	N.2	1	noname	0.0000
6	N3    -2.4873    -6.5622     2.9717	N.2	1	noname	0.0000
7	N4     1.0035     3.7988    -2.6601	N.3	1	noname	0.0000
8	C1    -0.8840    -2.8536     1.5240	C.3	1	noname	0.0000
9	C2    -0.4998    -0.7170     1.2687	C.3	1	noname	0.0000
10	C3    -1.1759    -5.2614     1.6762	C.2	1	noname	0.0000
11	C4     0.8286    -4.3199     0.6821	C.2	1	noname	0.0000
12	C5    -0.7091     1.1848     0.0102	C.2	1	noname	0.0000
13	C6     1.3834     0.2953     0.3470	C.2	1	noname	0.0000
14	C7     1.1576     2.2345    -0.9290	C.2	1	noname	0.0000
15	C8    -1.2786    -6.0563     0.4477	C.2	1	noname	0.0000
16	C9    -0.1816     2.2001    -0.7351	C.2	1	noname	0.0000
17	C10     1.9612     1.2718    -0.3864	C.2	1	noname	0.0000
18	C11     0.8247    -5.2478    -0.2946	C.2	1	noname	0.0000
19	C12    -0.3052    -6.0096    -0.4933	C.2	1	noname	0.0000
20	C13    -1.7554    -5.5261     2.8436	C.2	1	noname	0.0000
21	C14     1.7071     3.2343    -1.6692	C.2	1	noname	0.0000
22	H1    -1.9472    -2.8884     1.2864	H	1	noname	0.0000
23	H2    -0.7867    -2.5009     2.5507	H	1	noname	0.0000
24	H3    -1.5773    -0.5588     1.3141	H	1	noname	0.0000
25	H4    -0.0608    -0.7787     2.2645	H	1	noname	0.0000
26	H5     1.6400    -3.7911     0.8874	H	1	noname	0.0000
27	H6    -1.6863     1.1380     0.1620	H	1	noname	0.0000
28	H7     1.9449    -0.4104     0.7553	H	1	noname	0.0000
29	H8    -2.0694    -6.6344     0.3044	H	1	noname	0.0000
30	H9    -0.7666     2.8968    -1.1256	H	1	noname	0.0000
31	H10     2.9410     1.2893    -0.5269	H	1	noname	0.0000
32	H11     1.6246    -5.3806    -0.8626	H	1	noname	0.0000
33	H12    -0.4070    -6.5274    -1.3309	H	1	noname	0.0000
34	H13    -1.6184    -4.9187     3.6133	H	1	noname	0.0000
35	H14    -2.8881    -6.7640     2.1513	H	1	noname	0.0000
36	H15     0.1023     3.4943    -2.8495	H	1	noname	0.0000
37	H16     1.3955     4.5120    -3.1880	H	1	noname	0.0000
38	H17    -1.9605    -7.2839     3.2471	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	8	1
2	1	9	1
3	2	21	2
4	3	6	2
5	4	8	1
6	4	10	1
7	4	11	1
8	5	9	1
9	5	12	2
10	5	13	1
11	6	20	1
12	6	35	1
13	6	38	1
14	7	21	1
15	7	36	1
16	7	37	1
17	8	22	1
18	8	23	1
19	9	24	1
20	9	25	1
21	10	15	1
22	10	20	2
23	11	18	2
24	11	26	1
25	12	16	1
26	12	27	1
27	13	17	2
28	13	28	1
29	14	16	2
30	14	17	1
31	14	21	1
32	15	19	2
33	15	29	1
34	16	30	1
35	17	31	1
36	18	19	1
37	18	32	1
38	19	33	1
39	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1