@<TRIPOS>MOLECULE
72941592
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8575    -0.4675     4.0324	O.3	1	noname	-0.2869
2	N1     2.1580     4.0527     0.0441	N.3	1	noname	-0.3026
3	C1     2.1270     1.8040     2.0338	C.3	1	noname	0.0242
4	C2     2.7336     1.6563     0.5732	C.3	1	noname	-0.0187
5	C3     1.9256     2.6334    -0.3700	C.3	1	noname	0.0168
6	C4     2.2570     3.2973     2.5135	C.3	1	noname	-0.0306
7	C5     0.6445     1.3777     1.9958	C.2	1	noname	-0.0458
8	C6     0.3928     2.2788    -0.4432	C.3	1	noname	0.0138
9	C7     1.9571     4.4179     1.4737	C.3	1	noname	-0.0009
10	C8    -0.1455     1.6065     0.7813	C.2	1	noname	-0.0676
11	C9     3.0685     1.0631     3.0704	C.3	1	noname	-0.0552
12	C10     2.7798     0.1936    -0.0043	C.3	1	noname	-0.0602
13	C11     3.4914     4.4731    -0.3835	C.3	1	noname	-0.0130
14	C12     0.0276     0.6826     3.0964	C.2	1	noname	-0.0332
15	C13    -1.4955     1.1276     0.6944	C.2	1	noname	-0.0535
16	C14    -1.3004     0.2022     3.0010	C.2	1	noname	-0.0086
17	C15    -2.0375     0.4290     1.8187	C.2	1	noname	-0.0390
18	H1     3.7828     1.9960     0.5884	H	1	noname	0.0325
19	H2     2.3263     2.5851    -1.3902	H	1	noname	0.0473
20	H3     1.6404     3.4493     3.3994	H	1	noname	0.0288
21	H4     3.3117     3.4203     2.7596	H	1	noname	0.0288
22	H5    -0.1804     3.1842    -0.6424	H	1	noname	0.0332
23	H6     0.1895     1.6046    -1.2752	H	1	noname	0.0332
24	H7     0.9400     4.7829     1.6160	H	1	noname	0.0430
25	H8     2.6040     5.2618     1.7133	H	1	noname	0.0430
26	H9     2.6540     1.1632     4.0736	H	1	noname	0.0239
27	H10     3.1366     0.0071     2.8091	H	1	noname	0.0239
28	H11     4.0625     1.5093     3.0418	H	1	noname	0.0239
29	H12     3.2117     0.2114    -1.0049	H	1	noname	0.0234
30	H13     1.7684    -0.2101    -0.0522	H	1	noname	0.0234
31	H14     3.3911    -0.4339     0.6443	H	1	noname	0.0234
32	H15     3.6607     5.5067    -0.0819	H	1	noname	0.0394
33	H16     3.5669     4.3940    -1.4680	H	1	noname	0.0394
34	H17     4.2408     3.8318     0.0806	H	1	noname	0.0394
35	H18     0.5553     0.5344     3.9566	H	1	noname	0.0653
36	H19    -2.0530     1.2811    -0.1458	H	1	noname	0.0626
37	H20    -2.9947     0.0809     1.7639	H	1	noname	0.0650
38	H21    -1.2112    -0.5339     4.7660	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