@<TRIPOS>MOLECULE
71586813
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.8806    -1.0063    -0.5661	N.3	1	noname	-0.3113
2	N2    -5.0764    -2.5340    -1.7179	N.3	1	noname	-0.3113
3	C1    -4.1102    -1.4696    -1.4515	C.3	1	noname	0.0081
4	C2    -2.8468    -2.0708    -0.8326	C.3	1	noname	0.0081
5	C3    -6.2837    -1.9596    -2.3094	C.3	1	noname	0.0206
6	C4    -0.6733    -1.5808     0.0253	C.3	1	noname	0.0206
7	C5    -7.2485    -3.0226    -2.5755	C.2	1	noname	-0.0488
8	C6     0.2915    -0.5178     0.2914	C.2	1	noname	-0.0488
9	C7    -7.2402    -3.6777    -3.8013	C.2	1	noname	-0.0532
10	C8     1.5239    -0.8234     0.8570	C.2	1	noname	-0.0532
11	C9    -8.1752    -3.3794    -1.6029	C.2	1	noname	-0.0532
12	C10    -0.0224     0.7998    -0.0209	C.2	1	noname	-0.0532
13	C11     2.4424     0.1887     1.1103	C.2	1	noname	-0.0595
14	C12    -8.1588    -4.6898    -4.0547	C.2	1	noname	-0.0595
15	C13     0.8961     1.8118     0.2324	C.2	1	noname	-0.0595
16	C14    -9.0938    -4.3914    -1.8562	C.2	1	noname	-0.0595
17	C15     2.1285     1.5063     0.7980	C.2	1	noname	-0.0613
18	C16    -9.0855    -5.0466    -3.0821	C.2	1	noname	-0.0613
19	H1    -4.5458    -0.7483    -0.7600	H	1	noname	0.0441
20	H2    -3.8545    -0.9689    -2.3853	H	1	noname	0.0441
21	H3    -3.1025    -2.5715     0.1013	H	1	noname	0.0441
22	H4    -2.4112    -2.7920    -1.5241	H	1	noname	0.0441
23	H5    -0.9290    -2.0815     0.9591	H	1	noname	0.0478
24	H6    -0.2378    -2.3021    -0.6662	H	1	noname	0.0478
25	H7    -6.7192    -1.2383    -1.6178	H	1	noname	0.0478
26	H8    -6.0280    -1.4589    -3.2432	H	1	noname	0.0478
27	H9    -2.2890    -0.3301     0.0823	H	1	noname	0.1226
28	H10    -5.3161    -3.0035    -0.8424	H	1	noname	0.1226
29	H11    -6.5602    -3.4159    -4.5150	H	1	noname	0.0626
30	H12     1.7542    -1.7903     1.0862	H	1	noname	0.0626
31	H13    -8.1813    -2.8986    -0.7033	H	1	noname	0.0626
32	H14    -0.9267     1.0240    -0.4359	H	1	noname	0.0626
33	H15     3.3468    -0.0356     1.5254	H	1	noname	0.0622
34	H16    -8.1527    -5.1706    -4.9542	H	1	noname	0.0622
35	H17     0.6658     2.7787     0.0033	H	1	noname	0.0622
36	H18    -9.7738    -4.6533    -1.1426	H	1	noname	0.0622
37	H19     2.8026     2.2489     0.9839	H	1	noname	0.0622
38	H20    -9.7596    -5.7893    -3.2680	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	4	1
2	1	6	1
3	1	27	1
4	2	3	1
5	2	5	1
6	2	28	1
7	3	4	1
8	3	19	1
9	3	20	1
10	4	21	1
11	4	22	1
12	5	7	1
13	5	25	1
14	5	26	1
15	6	8	1
16	6	23	1
17	6	24	1
18	7	9	2
19	7	11	1
20	8	10	2
21	8	12	1
22	9	14	1
23	9	29	1
24	10	13	1
25	10	30	1
26	11	16	2
27	11	31	1
28	12	15	2
29	12	32	1
30	13	17	2
31	13	33	1
32	14	18	2
33	14	34	1
34	15	17	1
35	15	35	1
36	16	18	1
37	16	36	1
38	17	37	1
39	18	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1