@<TRIPOS>MOLECULE
90479568
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2796    -2.0310     0.5881	O.3	1	noname	0.0000
2	O2     2.8694     3.6047    -1.2306	O.2	1	noname	0.0000
3	O3    -2.7114    -4.9511     4.2960	O.2	1	noname	0.0000
4	N1    -0.3879    -4.2401     1.2608	N.3	1	noname	0.0000
5	N2     0.0190     0.1947     0.5218	N.2	1	noname	0.0000
6	N3    -1.7420    -4.9049     3.6515	N.2	1	noname	0.0000
7	N4     1.0588     3.7913    -2.5421	N.3	1	noname	0.0000
8	C1    -0.9607    -2.9612     1.4137	C.3	1	noname	0.0000
9	C2    -0.5815    -0.8172     1.2207	C.3	1	noname	0.0000
10	C3    -1.2413    -5.3736     1.5021	C.2	1	noname	0.0000
11	C4     0.7977    -4.3981     0.6169	C.2	1	noname	0.0000
12	C5    -0.7495     1.1097    -0.0053	C.2	1	noname	0.0000
13	C6     1.3327     0.2266     0.4040	C.2	1	noname	0.0000
14	C7     1.1486     2.1912    -0.8394	C.2	1	noname	0.0000
15	C8    -1.2844    -6.1426     0.2538	C.2	1	noname	0.0000
16	C9    -0.1975     2.1442    -0.7051	C.2	1	noname	0.0000
17	C10     1.9348     1.2223    -0.2826	C.2	1	noname	0.0000
18	C11     0.8433    -5.3049    -0.3784	C.2	1	noname	0.0000
19	C12    -0.2712    -6.0695    -0.6425	C.2	1	noname	0.0000
20	C13    -1.8692    -5.6670     2.6372	C.2	1	noname	0.0000
21	C14     1.7226     3.2102    -1.5335	C.2	1	noname	0.0000
22	H1    -2.0123    -2.9977     1.1291	H	1	noname	0.0000
23	H2    -0.9109    -2.6300     2.4510	H	1	noname	0.0000
24	H3    -1.6611    -0.6670     1.2223	H	1	noname	0.0000
25	H4    -0.1859    -0.8975     2.2332	H	1	noname	0.0000
26	H5     1.5955    -3.8687     0.8687	H	1	noname	0.0000
27	H6    -1.7320     1.0534     0.1026	H	1	noname	0.0000
28	H7     1.8811    -0.4840     0.8216	H	1	noname	0.0000
29	H8    -2.0640    -6.7226     0.0638	H	1	noname	0.0000
30	H9    -0.7700     2.8453    -1.1060	H	1	noname	0.0000
31	H10     2.9197     1.2491    -0.3796	H	1	noname	0.0000
32	H11     1.6682    -5.4203    -0.9135	H	1	noname	0.0000
33	H12    -0.3325    -6.5699    -1.4945	H	1	noname	0.0000
34	H13    -2.4355    -6.4770     2.6946	H	1	noname	0.0000
35	H14    -1.5996    -4.0263     3.3653	H	1	noname	0.0000
36	H15     0.1689     3.4852    -2.7772	H	1	noname	0.0000
37	H16     1.4682     4.5181    -3.0372	H	1	noname	0.0000
38	H17    -1.0131    -5.1877     4.1642	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