@<TRIPOS>MOLECULE
60196313
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.4067    -3.2069     1.0220	O.3	1	noname	-0.2869
2	N1     2.4971     1.9064    -1.5818	N.3	1	noname	-0.3026
3	C1     2.1975     0.2679     0.9081	C.3	1	noname	0.0242
4	C2     2.3077     1.8676     0.9489	C.3	1	noname	-0.0187
5	C3     1.7099     2.3977    -0.4087	C.3	1	noname	0.0168
6	C4     3.0810    -0.3048    -0.2650	C.3	1	noname	-0.0306
7	C5     0.7616    -0.1983     0.6049	C.2	1	noname	-0.0458
8	C6     0.1883     2.0399    -0.5636	C.3	1	noname	0.0138
9	C7     3.1216     0.5458    -1.5728	C.3	1	noname	-0.0009
10	C8    -0.1884     0.6818    -0.0782	C.2	1	noname	-0.0676
11	C9     2.7748    -0.3121     2.2648	C.3	1	noname	-0.0552
12	C10     3.7426     2.4816     1.1945	C.3	1	noname	-0.0602
13	C11     3.5041     2.9024    -1.9446	C.3	1	noname	-0.0130
14	C12     0.3181    -1.5431     0.9358	C.2	1	noname	-0.0332
15	C13    -1.5258     0.2476    -0.3584	C.2	1	noname	-0.0535
16	C14    -1.0024    -1.9670     0.6728	C.2	1	noname	-0.0086
17	C15    -1.8961    -1.0722     0.0372	C.2	1	noname	-0.0390
18	H1     1.6864     2.2658     1.7723	H	1	noname	0.0325
19	H2     1.7457     3.4906    -0.4413	H	1	noname	0.0473
20	H3     2.7586    -1.3189    -0.5010	H	1	noname	0.0288
21	H4     4.1029    -0.3014     0.1143	H	1	noname	0.0288
22	H5    -0.4151     2.7892    -0.0512	H	1	noname	0.0332
23	H6    -0.1358     2.1590    -1.5974	H	1	noname	0.0332
24	H7     2.7247    -0.0416    -2.4007	H	1	noname	0.0430
25	H8     4.1770     0.6717    -1.8145	H	1	noname	0.0430
26	H9     2.7070    -1.3999     2.2529	H	1	noname	0.0239
27	H10     2.1968     0.0789     3.1022	H	1	noname	0.0239
28	H11     3.8177    -0.0142     2.3726	H	1	noname	0.0239
29	H12     3.6764     3.5695     1.1989	H	1	noname	0.0234
30	H13     4.1258     2.1369     2.1550	H	1	noname	0.0234
31	H14     4.4157     2.1618     0.3989	H	1	noname	0.0234
32	H15     4.0777     2.5444    -2.7995	H	1	noname	0.0394
33	H16     3.0113     3.8393    -2.2043	H	1	noname	0.0394
34	H17     4.1739     3.0660    -1.1004	H	1	noname	0.0394
35	H18     0.9748    -2.1936     1.3671	H	1	noname	0.0653
36	H19    -2.1916     0.8630    -0.8259	H	1	noname	0.0626
37	H20    -2.8492    -1.3855    -0.1465	H	1	noname	0.0650
38	H21    -0.6643    -3.6848     1.4472	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	16	1
2	1	38	1
3	2	5	1
4	2	9	1
5	2	13	1
6	3	4	1
7	3	6	1
8	3	7	1
9	3	11	1
10	4	5	1
11	4	12	1
12	4	18	1
13	5	8	1
14	5	19	1
15	6	9	1
16	6	20	1
17	6	21	1
18	7	10	2
19	7	14	1
20	8	10	1
21	8	22	1
22	8	23	1
23	9	24	1
24	9	25	1
25	10	15	1
26	11	26	1
27	11	27	1
28	11	28	1
29	12	29	1
30	12	30	1
31	12	31	1
32	13	32	1
33	13	33	1
34	13	34	1
35	14	16	2
36	14	35	1
37	15	17	2
38	15	36	1
39	16	17	1
40	17	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1