@<TRIPOS>MOLECULE
91617589
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.0122     0.4789     1.8666	O.3	1	noname	0.0000
2	O2     1.7986     0.2123     1.5478	O.2	1	noname	0.0000
3	N1     3.8856    -2.3925     1.3459	N.3	1	noname	0.0000
4	N2     0.4469     0.2556    -2.4912	N.3	1	noname	0.0000
5	C1     3.1907    -1.3897     0.5403	C.3	1	noname	0.0000
6	C2     1.8470    -1.9526     0.0730	C.3	1	noname	0.0000
7	C3     4.1129    -3.5918     0.5413	C.3	1	noname	0.0000
8	C4     5.1696    -1.8546     1.7924	C.3	1	noname	0.0000
9	C5     3.0690    -2.7339     2.5096	C.3	1	noname	0.0000
10	C6     1.1531    -0.9511    -0.7315	C.2	1	noname	0.0000
11	C7     2.9637    -0.1920     1.3438	C.2	1	noname	0.0000
12	C8     0.2719     0.0211    -0.2848	C.2	1	noname	0.0000
13	C9     1.2370    -0.7703    -2.1131	C.2	1	noname	0.0000
14	C10    -0.1438     0.7713    -1.4038	C.2	1	noname	0.0000
15	C11    -0.1564     0.3370     1.0337	C.2	1	noname	0.0000
16	C12    -0.9868     1.9111    -1.2735	C.2	1	noname	0.0000
17	C13    -1.0332     1.4627     1.1855	C.2	1	noname	0.0000
18	C14    -1.4335     2.2461     0.0496	C.2	1	noname	0.0000
19	H1     3.7995    -1.1351    -0.3273	H	1	noname	0.0000
20	H2     1.2382    -2.2071     0.9406	H	1	noname	0.0000
21	H3     2.0165    -2.8467    -0.5269	H	1	noname	0.0000
22	H4     3.5870    -3.4816     3.1102	H	1	noname	0.0000
23	H5     4.6309    -4.3395     1.1419	H	1	noname	0.0000
24	H6     3.1556    -3.9928     0.2084	H	1	noname	0.0000
25	H7     4.7217    -3.3373    -0.3263	H	1	noname	0.0000
26	H8     5.6876    -2.6023     2.3931	H	1	noname	0.0000
27	H9     5.0001    -0.9605     2.3923	H	1	noname	0.0000
28	H10     5.7784    -1.6001     0.9249	H	1	noname	0.0000
29	H11     2.1117    -3.1349     2.1767	H	1	noname	0.0000
30	H12     2.8995    -1.8398     3.1095	H	1	noname	0.0000
31	H13     1.8106    -1.3308    -2.7433	H	1	noname	0.0000
32	H14     0.3260     0.5690    -3.4012	H	1	noname	0.0000
33	H15     0.1467    -0.2132     1.8374	H	1	noname	0.0000
34	H16    -1.2615     2.4656    -2.0844	H	1	noname	0.0000
35	H17     3.9528     1.4466     2.0091	H	1	noname	0.0000
36	H18    -1.3773     1.7103     2.1133	H	1	noname	0.0000
37	H19    -2.0439     3.0520     0.1850	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	11	1
2	1	35	1
3	2	11	2
4	3	5	1
5	3	7	1
6	3	8	1
7	3	9	1
8	4	13	1
9	4	14	1
10	4	32	1
11	5	6	1
12	5	11	1
13	5	19	1
14	6	10	1
15	6	20	1
16	6	21	1
17	7	23	1
18	7	24	1
19	7	25	1
20	8	26	1
21	8	27	1
22	8	28	1
23	9	22	1
24	9	29	1
25	9	30	1
26	10	12	1
27	10	13	2
28	12	14	1
29	12	15	2
30	13	31	1
31	14	16	2
32	15	17	1
33	15	33	1
34	16	18	1
35	16	34	1
36	17	18	2
37	17	36	1
38	18	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1