@<TRIPOS>MOLECULE
50327898
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.4836     0.8189     1.4156	O.2	1	noname	-0.2593
2	C1     1.7251     0.9691     0.4335	C.2	1	noname	0.1459
3	N1     1.0694    -0.0840    -0.1211	N.3	1	noname	-0.0844
4	C2     1.5130     2.2492    -0.1489	C.2	1	noname	0.1256
5	C3     0.2287     0.0465    -1.1820	C.2	1	noname	0.0845
6	C4     1.2695    -1.3676     0.4271	C.3	1	noname	0.0184
7	N2     0.6065     2.3811    -1.1641	N.2	1	noname	-0.1764
8	C5     2.3223     3.4072     0.0653	C.2	1	noname	0.0858
9	N3    -0.3856    -1.0684    -1.6686	N.2	1	noname	-0.2176
10	C6    -0.0438     1.3339    -1.7290	C.2	1	noname	0.0331
11	C7     2.4471    -2.0449    -0.2767	C.3	1	noname	-0.0489
12	C8     1.5720    -1.2424     1.9216	C.3	1	noname	-0.0489
13	N4     2.0129     4.6486    -0.3418	N.2	1	noname	-0.1406
14	C9     3.6216     3.4951     0.5658	C.2	1	noname	-0.0011
15	C10    -1.2755    -0.9815    -2.7014	C.2	1	noname	0.0869
16	C11    -0.9422     1.4087    -2.8166	C.2	1	noname	0.0566
17	N5     3.0214     5.4122    -0.1311	N.2	1	noname	-0.2135
18	N6     3.9946     4.7594     0.3991	N.3	1	noname	0.0285
19	N7    -1.5218     0.2499    -3.2533	N.2	1	noname	-0.2406
20	N8    -1.8946    -2.0756    -3.1654	N.3	1	noname	-0.0799
21	C12    -1.2432     2.6864    -3.4558	C.3	1	noname	0.0479
22	H1     0.3356    -1.9012     0.2501	H	1	noname	0.0471
23	H2     3.1365    -2.4414     0.4686	H	1	noname	0.0246
24	H3     2.0782    -2.8594    -0.9001	H	1	noname	0.0246
25	H4     2.9656    -1.3164    -0.9001	H	1	noname	0.0246
26	H5     1.6606    -2.2369     2.3589	H	1	noname	0.0246
27	H6     2.5078    -0.7006     2.0587	H	1	noname	0.0246
28	H7     0.7633    -0.7006     2.4119	H	1	noname	0.0246
29	H8     4.2377     2.7129     1.0094	H	1	noname	0.0831
30	H9     4.8876     5.1650     0.6402	H	1	noname	0.1765
31	H10    -2.8891    -2.0572    -3.3403	H	1	noname	0.1273
32	H11    -1.3666    -2.9186    -3.3403	H	1	noname	0.1273
33	H12    -1.4212     3.4423    -2.6910	H	1	noname	0.0296
34	H13    -0.4002     2.9894    -4.0769	H	1	noname	0.0296
35	H14    -2.1327     2.5813    -4.0769	H	1	noname	0.0296
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	2
9	5	10	1
10	6	11	1
11	6	12	1
12	7	10	1
13	8	13	1
14	8	14	2
15	9	15	1
16	10	16	2
17	13	17	2
18	14	18	1
19	15	19	2
20	15	20	1
21	16	21	1
22	16	19	1
23	17	18	1
24	6	22	1
25	11	23	1
26	11	24	1
27	11	25	1
28	12	26	1
29	12	27	1
30	12	28	1
31	14	29	1
32	18	30	1
33	20	31	1
34	20	32	1
35	21	33	1
36	21	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1