@<TRIPOS>MOLECULE
76958132
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8319    -0.4487     0.6112	O.3	1	noname	-0.2090
2	O2     0.4437     5.9367    -1.7198	O.3	1	noname	-0.3771
3	O3     0.4342     0.7374     2.3205	O.2	1	noname	-0.2607
4	N1     0.2110     1.6184    -3.6371	N.3	1	noname	-0.2862
5	C1     0.0757     2.2426    -2.2849	C.3	1	noname	0.0712
6	C2     0.3201     1.2956    -1.1634	C.2	1	noname	0.0002
7	C3     0.7142    -0.1282    -1.4102	C.3	1	noname	0.0078
8	C4     0.8831     3.5827    -2.2420	C.3	1	noname	0.0037
9	C5    -1.3445     2.5666    -2.3191	C.2	1	noname	-0.0473
10	C6     1.2523     0.5553    -3.8064	C.3	1	noname	0.0004
11	C7     0.9308    -0.6227    -2.8682	C.3	1	noname	-0.0314
12	C8    -1.1514     1.2121    -4.1002	C.3	1	noname	0.0182
13	C9     0.2909     4.6137    -1.2252	C.3	1	noname	0.0780
14	C10    -2.0310     1.9729    -3.2831	C.2	1	noname	-0.0531
15	C11    -0.2509    -1.0800    -0.6012	C.3	1	noname	0.0634
16	C12    -1.9081     3.4708    -1.4831	C.2	1	noname	-0.0501
17	C13     0.0912     1.6646     0.1156	C.2	1	noname	0.0638
18	C14    -1.1416     4.4404    -0.9570	C.2	1	noname	-0.0548
19	C15    -0.0382     0.6655     1.1655	C.2	1	noname	0.0964
20	C16     1.8232     6.2140    -1.9113	C.3	1	noname	0.0364
21	H1     1.7219    -0.2331    -0.9662	H	1	noname	0.0374
22	H2     0.9048     4.0258    -3.2377	H	1	noname	0.0322
23	H3     1.9284     3.3826    -2.0065	H	1	noname	0.0322
24	H4     1.2519     0.2076    -4.8394	H	1	noname	0.0431
25	H5     2.2065     0.9647    -3.4750	H	1	noname	0.0431
26	H6     0.0314    -1.1301    -3.2171	H	1	noname	0.0286
27	H7     1.7191    -1.3744    -2.9079	H	1	noname	0.0286
28	H8    -1.3002     0.1503    -3.9039	H	1	noname	0.0475
29	H9    -1.3208     1.3078    -5.1727	H	1	noname	0.0475
30	H10     0.8700     4.5350    -0.3005	H	1	noname	0.0649
31	H11    -3.0093     2.0476    -3.4148	H	1	noname	0.0593
32	H12    -1.0545    -1.4221    -1.2534	H	1	noname	0.0579
33	H13     0.2780    -1.9919    -0.3242	H	1	noname	0.0579
34	H14    -2.8718     3.4179    -1.2627	H	1	noname	0.0623
35	H15     0.0107     2.6252     0.3411	H	1	noname	0.0686
36	H16    -1.5747     5.0854    -0.3434	H	1	noname	0.0603
37	H17     1.9404     7.2291    -2.2909	H	1	noname	0.0529
38	H18     2.2396     5.5073    -2.6291	H	1	noname	0.0529
39	H19     2.3483     6.1186    -0.9609	H	1	noname	0.0529
@<TRIPOS>BOND
1	1	15	1
2	1	19	1
3	13	2	1
4	2	20	1
5	3	19	2
6	4	5	1
7	4	10	1
8	4	12	1
9	5	6	1
10	5	8	1
11	5	9	1
12	6	7	1
13	6	17	2
14	7	11	1
15	7	15	1
16	7	21	1
17	8	13	1
18	8	22	1
19	8	23	1
20	9	14	2
21	9	16	1
22	10	11	1
23	10	24	1
24	10	25	1
25	11	26	1
26	11	27	1
27	12	14	1
28	12	28	1
29	12	29	1
30	13	18	1
31	13	30	1
32	14	31	1
33	15	32	1
34	15	33	1
35	16	18	2
36	16	34	1
37	17	19	1
38	17	35	1
39	18	36	1
40	20	37	1
41	20	38	1
42	20	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1