@<TRIPOS>MOLECULE
71586814
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -4.8647    -2.4675    -2.1480	N.3	1	noname	-0.3113
2	N2    -1.8938    -0.9355    -0.5050	N.3	1	noname	-0.3113
3	C1    -4.1251    -1.5334    -1.3008	C.3	1	noname	0.0081
4	C2    -2.6334    -1.8697    -1.3521	C.3	1	noname	0.0081
5	C3    -6.2901    -2.1462    -2.0990	C.3	1	noname	0.0206
6	C4    -0.4684    -1.2568    -0.5540	C.3	1	noname	0.0206
7	C5    -7.0287    -3.0791    -2.9450	C.2	1	noname	-0.0488
8	C6     0.2702    -0.3239     0.2920	C.2	1	noname	-0.0488
9	C7     1.6513    -0.4324     0.4053	C.2	1	noname	-0.0532
10	C8    -7.2450    -2.7802    -4.2852	C.2	1	noname	-0.0532
11	C9    -0.4077     0.6728     0.9842	C.2	1	noname	-0.0532
12	C10    -7.5155    -4.2662    -2.4104	C.2	1	noname	-0.0532
13	C11     2.3545     0.4557     1.2108	C.2	1	noname	-0.0595
14	C12    -7.9481    -3.6684    -5.0906	C.2	1	noname	-0.0595
15	C13     0.2955     1.5609     1.7897	C.2	1	noname	-0.0595
16	C14    -8.2187    -5.1544    -3.2158	C.2	1	noname	-0.0595
17	C15    -8.4350    -4.8555    -4.5560	C.2	1	noname	-0.0613
18	C16     1.6766     1.4524     1.9030	C.2	1	noname	-0.0613
19	H1    -4.4807    -1.6146    -0.2737	H	1	noname	0.0441
20	H2    -4.2807    -0.5160    -1.6598	H	1	noname	0.0441
21	H3    -2.4777    -2.8870    -0.9932	H	1	noname	0.0441
22	H4    -2.2777    -1.7884    -2.3793	H	1	noname	0.0441
23	H5    -0.3127    -2.2742    -0.1950	H	1	noname	0.0478
24	H6    -0.1127    -1.1756    -1.5811	H	1	noname	0.0478
25	H7    -6.6457    -2.2275    -1.0719	H	1	noname	0.0478
26	H8    -6.4457    -1.1288    -2.4580	H	1	noname	0.0478
27	H9    -4.7187    -3.4214    -1.8115	H	1	noname	0.1226
28	H10    -2.2272    -1.0117     0.4581	H	1	noname	0.1226
29	H11    -6.8877    -1.9091    -4.6775	H	1	noname	0.0626
30	H12     2.1488    -1.1638    -0.1026	H	1	noname	0.0626
31	H13    -7.3568    -4.4855    -1.4270	H	1	noname	0.0626
32	H14    -1.4212     0.7524     0.9011	H	1	noname	0.0626
33	H15    -8.1069    -3.4490    -6.0740	H	1	noname	0.0622
34	H16     3.3680     0.3761     1.2939	H	1	noname	0.0622
35	H17    -8.5760    -6.0255    -2.8235	H	1	noname	0.0622
36	H18    -0.2020     2.2923     2.2976	H	1	noname	0.0622
37	H19    -8.9510    -5.5072    -5.1470	H	1	noname	0.0622
38	H20     2.1926     2.1042     2.4940	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	3	1
2	1	5	1
3	1	27	1
4	2	4	1
5	2	6	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	10	2
19	7	12	1
20	8	9	2
21	8	11	1
22	9	13	1
23	9	30	1
24	10	14	1
25	10	29	1
26	11	15	2
27	11	32	1
28	12	16	2
29	12	31	1
30	13	18	2
31	13	34	1
32	14	17	2
33	14	33	1
34	15	18	1
35	15	36	1
36	16	17	1
37	16	35	1
38	17	37	1
39	18	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1