@<TRIPOS>MOLECULE
72941799
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.2470    -1.5932    -0.3428	S.3	1	noname	-0.0985
2	N1     0.4821     0.2781     2.7341	N.3	1	noname	-0.3050
3	N2     4.6035    -3.1778     0.4355	N.3	1	noname	-0.1470
4	N3     8.0916     0.8185     2.5429	N.1	1	noname	-0.1839
5	C1     0.2078    -0.6447     1.6338	C.3	1	noname	0.0239
6	C2     0.2431     0.0827     0.3684	C.2	1	noname	-0.0223
7	C3     1.1545    -0.2800    -0.6165	C.2	1	noname	-0.0168
8	C4    -0.6346     1.1378     0.1485	C.2	1	noname	-0.0449
9	C5     1.1881     0.4125    -1.8212	C.2	1	noname	-0.0329
10	C6     0.4468    -0.4503     4.0013	C.3	1	noname	-0.0133
11	C7     1.8043     0.8747     2.5517	C.3	1	noname	-0.0133
12	C8    -0.6010     1.8303    -1.0562	C.2	1	noname	-0.0551
13	C9     3.7018    -0.9929     0.3755	C.2	1	noname	-0.0273
14	C10     0.3104     1.4676    -2.0411	C.2	1	noname	-0.0531
15	C11     4.7347    -1.8686     0.6893	C.2	1	noname	0.0015
16	C12     3.8379     0.3652     0.6388	C.2	1	noname	-0.0265
17	C13     5.9036    -1.3863     1.2665	C.2	1	noname	-0.0207
18	C14     5.0068     0.8475     1.2159	C.2	1	noname	-0.0425
19	C15     6.0397    -0.0282     1.5298	C.2	1	noname	-0.0065
20	C16     7.1262     0.4201     2.0662	C.1	1	noname	0.0604
21	H1    -0.7779    -1.0895     1.7698	H	1	noname	0.0481
22	H2     0.9627    -1.4309     1.6222	H	1	noname	0.0481
23	H3    -1.3034     1.4039     0.8712	H	1	noname	0.0626
24	H4     1.8569     0.1464    -2.5439	H	1	noname	0.0634
25	H5     0.6513     0.2377     4.8217	H	1	noname	0.0394
26	H6    -0.5390    -0.8951     4.1373	H	1	noname	0.0394
27	H7     1.2017    -1.2364     3.9897	H	1	noname	0.0394
28	H8     2.0088     1.5627     3.3721	H	1	noname	0.0394
29	H9     1.8307     1.4177     1.6070	H	1	noname	0.0394
30	H10     2.5592     0.0885     2.5401	H	1	noname	0.0394
31	H11    -1.2451     2.6045    -1.2176	H	1	noname	0.0622
32	H12     0.3350     1.9758    -2.9252	H	1	noname	0.0623
33	H13     3.0800     1.0078     0.4085	H	1	noname	0.0635
34	H14     6.6615    -2.0289     1.4968	H	1	noname	0.0653
35	H15     5.1067     1.8440     1.4092	H	1	noname	0.0636
36	H16     5.4082    -3.6431     0.7127	H	1	noname	0.1243
37	H17     3.8428    -3.5275     0.9254	H	1	noname	0.1243
@<TRIPOS>BOND
1	1	7	1
2	1	13	1
3	2	5	1
4	2	10	1
5	2	11	1
6	3	15	1
7	3	36	1
8	3	37	1
9	4	20	3
10	5	6	1
11	5	21	1
12	5	22	1
13	6	7	1
14	6	8	2
15	7	9	2
16	8	12	1
17	8	23	1
18	9	14	1
19	9	24	1
20	10	25	1
21	10	26	1
22	10	27	1
23	11	28	1
24	11	29	1
25	11	30	1
26	12	14	2
27	12	31	1
28	13	15	2
29	13	16	1
30	14	32	1
31	15	17	1
32	16	18	2
33	16	33	1
34	17	19	2
35	17	34	1
36	18	19	1
37	18	35	1
38	19	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1