@<TRIPOS>MOLECULE
71576069
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.2538    -2.0685     0.6014	N.3	1	noname	-0.0922
2	N2     0.3047    -2.5486    -1.9980	N.3	1	noname	-0.3031
3	N3     3.4163    -1.3852     1.3588	N.2	1	noname	-0.2668
4	C1    -0.2090    -2.0573     0.4318	C.3	1	noname	0.0538
5	C2    -0.4329    -1.6435    -1.0500	C.3	1	noname	0.0182
6	C3     1.9296    -3.1902    -0.0916	C.3	1	noname	0.0180
7	C4     1.5169    -3.3391    -1.5927	C.3	1	noname	0.0113
8	C5    -1.1289    -1.3870     1.4317	C.2	1	noname	-0.0449
9	C6     2.0496    -1.1065     1.2682	C.2	1	noname	0.0232
10	C7    -0.8677    -0.1263     2.0834	C.2	1	noname	-0.0446
11	C8     0.2601     0.7367     1.7250	C.3	1	noname	0.0483
12	C9     1.6310     0.1598     1.8185	C.2	1	noname	-0.0289
13	C10     0.5845    -1.8296    -3.2399	C.3	1	noname	-0.0132
14	C11    -2.3452    -2.0790     1.7803	C.2	1	noname	-0.0518
15	C12    -1.7328     0.4136     3.0849	C.2	1	noname	-0.0571
16	C13     2.6045     1.0181     2.4043	C.2	1	noname	-0.0456
17	C14    -3.2160    -1.5477     2.7639	C.2	1	noname	-0.0627
18	C15    -2.9034    -0.3224     3.4128	C.2	1	noname	-0.0612
19	C16     3.9854     0.6701     2.4099	C.2	1	noname	-0.0603
20	C17     4.3832    -0.5662     1.8690	C.2	1	noname	-0.0139
21	H1    -0.4984    -3.1184     0.4614	H	1	noname	0.0535
22	H2    -1.4985    -1.6698    -1.2775	H	1	noname	0.0450
23	H3    -0.1065    -0.6115    -1.1789	H	1	noname	0.0450
24	H4     1.7224    -4.1211     0.4363	H	1	noname	0.0448
25	H5     3.0102    -3.0968     0.0164	H	1	noname	0.0448
26	H6     1.3574    -4.3925    -1.8229	H	1	noname	0.0443
27	H7     2.3239    -3.0103    -2.2475	H	1	noname	0.0443
28	H8     0.1039     1.1421     0.7253	H	1	noname	0.0367
29	H9     0.2415     1.6366     2.3396	H	1	noname	0.0367
30	H10     1.1190    -2.4856    -3.9269	H	1	noname	0.0394
31	H11    -0.3536    -1.5129    -3.6957	H	1	noname	0.0394
32	H12     1.1967    -0.9543    -3.0229	H	1	noname	0.0394
33	H13    -2.5800    -2.9563     1.3160	H	1	noname	0.0626
34	H14    -1.5175     1.2965     3.5482	H	1	noname	0.0625
35	H15     2.3076     1.8975     2.8273	H	1	noname	0.0627
36	H16    -4.0713    -2.0471     3.0074	H	1	noname	0.0622
37	H17    -3.5336     0.0367     4.1299	H	1	noname	0.0622
38	H18     4.6774     1.3093     2.8011	H	1	noname	0.0638
39	H19     5.3649    -0.8430     1.8582	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	4	1
2	1	6	1
3	1	9	1
4	2	5	1
5	2	7	1
6	2	13	1
7	3	9	1
8	3	20	2
9	4	5	1
10	4	8	1
11	4	21	1
12	5	22	1
13	5	23	1
14	6	7	1
15	6	24	1
16	6	25	1
17	7	26	1
18	7	27	1
19	8	10	1
20	8	14	2
21	9	12	2
22	10	11	1
23	10	15	2
24	11	12	1
25	11	28	1
26	11	29	1
27	12	16	1
28	13	30	1
29	13	31	1
30	13	32	1
31	14	17	1
32	14	33	1
33	15	18	1
34	15	34	1
35	16	19	2
36	16	35	1
37	17	18	2
38	17	36	1
39	18	37	1
40	19	20	1
41	19	38	1
42	20	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1