@<TRIPOS>MOLECULE
72941987
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.0246     0.6469     2.5956	N.3	1	noname	-0.0805
2	N2     0.5572    -4.3838     1.4786	N.3	1	noname	0.0106
3	N3     0.4866    -5.9196    -0.3516	N.2	1	noname	-0.2373
4	N4    -0.5998    -4.1077    -2.0046	N.2	1	noname	-0.2504
5	N5    -0.6616    -2.4974    -0.3012	N.3	1	noname	-0.1078
6	N6     1.0987   -10.2129    -3.0547	N.2	1	noname	-0.2454
7	C1    -1.3320    -1.5580     2.6855	C.2	1	noname	-0.0390
8	C2    -0.4137    -0.5328     2.3773	C.2	1	noname	-0.1040
9	C3     0.3353    -3.1646     2.0449	C.2	1	noname	-0.0207
10	C4    -0.9685    -2.9261     2.5718	C.2	1	noname	-0.0313
11	C5     0.9177    -0.7581     1.9474	C.2	1	noname	-0.0424
12	C6     1.2820    -2.1216     1.7846	C.2	1	noname	-0.0402
13	C7    -2.5231    -0.9833     3.0854	C.2	1	noname	-0.0558
14	C8    -2.2795     0.3942     3.0262	C.2	1	noname	-0.1158
15	C9     0.2364    -4.6749     0.1715	C.2	1	noname	0.0440
16	C10     0.2194    -6.3402    -1.6451	C.2	1	noname	0.0070
17	C11    -0.3540    -3.7324    -0.7206	C.2	1	noname	0.0430
18	C12     0.4848    -7.6817    -2.1107	C.2	1	noname	-0.0088
19	C13    -0.3365    -5.3430    -2.5105	C.2	1	noname	0.0037
20	C14     1.6137    -8.3918    -1.5576	C.2	1	noname	0.0003
21	C15    -0.3488    -8.2986    -3.1306	C.2	1	noname	0.0003
22	C16     1.9155    -9.6916    -2.0654	C.2	1	noname	0.0059
23	C17    -0.0096    -9.5942    -3.6011	C.2	1	noname	0.0059
24	H1    -1.5943    -3.6831     2.8470	H	1	noname	0.0646
25	H2     1.5693     0.0057     1.7673	H	1	noname	0.0643
26	H3     2.2258    -2.3598     1.4797	H	1	noname	0.0640
27	H4    -3.3842    -1.4553     3.3612	H	1	noname	0.0642
28	H5    -0.6323     1.5245     2.4663	H	1	noname	0.1522
29	H6     0.2089    -5.0783     2.0593	H	1	noname	0.1358
30	H7    -2.9599     1.1121     3.2754	H	1	noname	0.0789
31	H8    -0.5314    -5.5554    -3.4889	H	1	noname	0.0863
32	H9     2.1825    -7.9744    -0.8210	H	1	noname	0.0645
33	H10    -1.1630    -7.8087    -3.5014	H	1	noname	0.0645
34	H11    -1.0516    -1.9950    -1.0335	H	1	noname	0.1259
35	H12    -1.2986    -2.5530     0.4282	H	1	noname	0.1259
36	H13     2.7108   -10.2216    -1.7092	H	1	noname	0.0839
37	H14    -0.5671   -10.0546    -4.3206	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	8	1
2	1	14	1
3	1	28	1
4	2	9	1
5	2	15	1
6	2	29	1
7	3	15	2
8	3	16	1
9	4	17	2
10	4	19	1
11	5	17	1
12	5	34	1
13	5	35	1
14	6	22	2
15	6	23	1
16	7	8	2
17	7	10	1
18	7	13	1
19	8	11	1
20	9	10	2
21	9	12	1
22	10	24	1
23	11	12	2
24	11	25	1
25	12	26	1
26	13	14	2
27	13	27	1
28	14	30	1
29	15	17	1
30	16	18	1
31	16	19	2
32	18	20	2
33	18	21	1
34	19	31	1
35	20	22	1
36	20	32	1
37	21	23	2
38	21	33	1
39	22	36	1
40	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1