@<TRIPOS>MOLECULE
59457769
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.8128     1.9045    -0.1973	O.3	1	noname	-0.3682
2	O2     2.6072     2.9178     3.5924	O.3	1	noname	-0.2181
3	O3     2.3858     3.4194     1.4079	O.2	1	noname	-0.2549
4	N1     0.2231     1.2553     0.4425	N.3	1	noname	-0.0745
5	C1     2.7787     1.0364     0.3793	C.3	1	noname	0.1127
6	C2     1.4431     1.4636    -0.1136	C.2	1	noname	-0.1083
7	C3     1.3273     2.1600    -1.3275	C.2	1	noname	-0.0273
8	C4     2.4685     2.5750    -2.1928	C.3	1	noname	0.0323
9	C5    -0.0380     2.3476    -1.5231	C.2	1	noname	-0.0303
10	C6    -0.6796     1.8218    -0.3675	C.2	1	noname	-0.0881
11	C7     3.8252     2.0583    -1.6484	C.3	1	noname	0.0521
12	C8     2.8417     1.1710     1.9135	C.3	1	noname	0.0678
13	C9     2.9986    -0.4646     0.0647	C.3	1	noname	-0.0297
14	C10    -2.0888     1.9250    -0.1745	C.2	1	noname	-0.0390
15	C11    -0.7656     2.9474    -2.5897	C.2	1	noname	-0.0447
16	C12    -2.7434     1.4384     1.0364	C.3	1	noname	0.0128
17	C13    -2.8181     2.5326    -1.2370	C.2	1	noname	-0.0520
18	C14     2.5998     2.5605     2.2906	C.2	1	noname	0.1364
19	C15    -2.1802     3.0204    -2.4123	C.2	1	noname	-0.0545
20	C16    -2.7930     2.5605     2.0754	C.3	1	noname	-0.0612
21	H1     2.3147     2.1965    -3.2033	H	1	noname	0.0340
22	H2     2.4431     3.6629    -2.2544	H	1	noname	0.0340
23	H3     0.0396     0.7848     1.2707	H	1	noname	0.1526
24	H4     4.0625     1.1014    -2.1132	H	1	noname	0.0570
25	H5     4.6198     2.7413    -1.9489	H	1	noname	0.0570
26	H6     2.0813     0.5342     2.3657	H	1	noname	0.0406
27	H7     3.8273     0.8655     2.2648	H	1	noname	0.0406
28	H8     2.2006    -1.0519     0.5190	H	1	noname	0.0264
29	H9     2.9906    -0.6146    -1.0149	H	1	noname	0.0264
30	H10     3.9595    -0.7835     0.4686	H	1	noname	0.0264
31	H11    -0.3053     3.3027    -3.4277	H	1	noname	0.0629
32	H12    -3.7579     1.1191     0.7978	H	1	noname	0.0314
33	H13    -2.1823     0.5951     1.4389	H	1	noname	0.0314
34	H14    -3.8308     2.6210    -1.1527	H	1	noname	0.0626
35	H15    -2.7507     3.4342    -3.1496	H	1	noname	0.0622
36	H16    -3.2817     2.1972     2.9794	H	1	noname	0.0234
37	H17    -3.3542     3.4038     1.6729	H	1	noname	0.0234
38	H18    -1.7785     2.8798     2.3140	H	1	noname	0.0234
39	H19     2.0506     3.6640     3.8989	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	5	1
2	1	11	1
3	2	18	1
4	2	39	1
5	3	18	2
6	4	6	1
7	4	10	1
8	4	23	1
9	5	6	1
10	5	12	1
11	5	13	1
12	6	7	2
13	7	8	1
14	7	9	1
15	8	11	1
16	8	21	1
17	8	22	1
18	9	10	1
19	9	15	2
20	10	14	2
21	11	24	1
22	11	25	1
23	12	18	1
24	12	26	1
25	12	27	1
26	13	28	1
27	13	29	1
28	13	30	1
29	14	16	1
30	14	17	1
31	15	19	1
32	15	31	1
33	16	20	1
34	16	32	1
35	16	33	1
36	17	19	2
37	17	34	1
38	19	35	1
39	20	36	1
40	20	37	1
41	20	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1