@<TRIPOS>MOLECULE
71749624
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.1169     0.6609     2.9562	N.3	1	noname	-0.0760
2	N2     3.0498     4.2129     1.2219	N.3	1	noname	-0.3089
3	N3     1.7507    -4.8831     5.7355	N.3	1	noname	0.0183
4	N4     1.7395    -6.0554     6.2721	N.2	1	noname	-0.2520
5	N5     2.2892    -4.6545     7.8441	N.2	1	noname	-0.1976
6	C1     2.4009     1.0651     3.1008	C.2	1	noname	-0.1060
7	C2     2.8694     2.4307     2.8836	C.3	1	noname	0.0213
8	C3     2.3565    -1.0878     3.5458	C.2	1	noname	-0.0363
9	C4     1.0520    -0.6417     3.2422	C.2	1	noname	-0.0969
10	C5     3.2176    -0.0024     3.4862	C.2	1	noname	-0.0429
11	C6     2.5807     2.8454     1.4394	C.3	1	noname	0.0029
12	C7     1.4434    -3.2793     3.8575	C.2	1	noname	-0.0392
13	C8     2.6072    -2.4417     3.8495	C.2	1	noname	-0.0344
14	C9    -0.1032    -1.4668     3.2177	C.2	1	noname	-0.0435
15	C10     0.1367    -2.8197     3.5300	C.2	1	noname	-0.0441
16	C11     1.4619    -4.6708     4.3343	C.3	1	noname	0.0104
17	C12     2.7739     4.6091    -0.1580	C.3	1	noname	-0.0136
18	C13     4.4891     4.2795     1.4696	C.3	1	noname	-0.0136
19	C14     2.0739    -3.9881     6.7051	C.2	1	noname	-0.0073
20	C15     2.0706    -5.9420     7.5634	C.2	1	noname	0.0762
21	H1     2.3517     3.1052     3.5656	H	1	noname	0.0342
22	H2     3.9425     2.4804     3.0683	H	1	noname	0.0342
23	H3     1.5076     2.7957     1.2547	H	1	noname	0.0434
24	H4     3.0984     2.1709     0.7574	H	1	noname	0.0434
25	H5     4.2190     0.0136     3.6796	H	1	noname	0.0645
26	H6     0.3715     1.2218     2.6903	H	1	noname	0.1524
27	H7     3.5425    -2.7971     4.0478	H	1	noname	0.0633
28	H8    -1.0315    -1.1092     2.9923	H	1	noname	0.0642
29	H9    -0.6397    -3.4812     3.5212	H	1	noname	0.0626
30	H10     0.5187    -5.1545     4.0803	H	1	noname	0.0541
31	H11     2.2512    -5.2228     3.8238	H	1	noname	0.0541
32	H12     4.8389     5.2991     1.3075	H	1	noname	0.0394
33	H13     3.1237     5.6286    -0.3202	H	1	noname	0.0394
34	H14     1.7008     4.5594    -0.3427	H	1	noname	0.0394
35	H15     3.2916     3.9346    -0.8401	H	1	noname	0.0394
36	H16     4.6948     3.9841     2.4985	H	1	noname	0.0394
37	H17     5.0068     3.6050     0.7876	H	1	noname	0.0394
38	H18     2.1411    -2.9775     6.5844	H	1	noname	0.1030
39	H19     2.1443    -6.7138     8.2263	H	1	noname	0.1079
@<TRIPOS>BOND
1	1	6	1
2	1	9	1
3	1	26	1
4	2	11	1
5	2	17	1
6	2	18	1
7	3	4	1
8	3	16	1
9	3	19	1
10	4	20	2
11	5	19	2
12	5	20	1
13	6	7	1
14	6	10	2
15	7	11	1
16	7	21	1
17	7	22	1
18	8	9	2
19	8	10	1
20	8	13	1
21	9	14	1
22	10	25	1
23	11	23	1
24	11	24	1
25	12	13	2
26	12	15	1
27	12	16	1
28	13	27	1
29	14	15	2
30	14	28	1
31	15	29	1
32	16	30	1
33	16	31	1
34	17	33	1
35	17	34	1
36	17	35	1
37	18	32	1
38	18	36	1
39	18	37	1
40	19	38	1
41	20	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1