@<TRIPOS>MOLECULE
76962898
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.3398     5.6391     0.1796	O.3	1	noname	-0.3771
2	O2     2.5440    -1.1121    -0.9251	O.3	1	noname	-0.2027
3	O3     4.5651     0.1144    -0.6720	O.2	1	noname	-0.2524
4	N1    -0.7984     2.2151    -1.3428	N.3	1	noname	-0.2859
5	C1     0.3480     2.4300    -0.3645	C.3	1	noname	0.0712
6	C2     1.1258     1.1450    -0.1077	C.2	1	noname	-0.0364
7	C3     1.2258     3.6628    -0.8160	C.3	1	noname	0.0037
8	C4    -0.3775     2.9546     0.7975	C.2	1	noname	-0.0473
9	C5    -1.1327     0.8318    -1.8226	C.3	1	noname	0.0035
10	C6    -2.0543     2.7126    -0.7130	C.3	1	noname	0.0182
11	C7     0.5073    -0.0638    -0.3161	C.2	1	noname	-0.0384
12	C8    -0.8733    -0.1920    -0.6904	C.3	1	noname	-0.0164
13	C9     2.0292     4.2747     0.3934	C.3	1	noname	0.0780
14	C10    -1.6853     3.1173     0.6040	C.2	1	noname	-0.0531
15	C11     2.5603     1.1653     0.2629	C.3	1	noname	0.0572
16	C12     0.2093     3.5054     1.8960	C.2	1	noname	-0.0501
17	C13     1.3614     4.1490     1.6981	C.2	1	noname	-0.0548
18	C14     1.2629    -1.3282    -0.2697	C.3	1	noname	0.0779
19	C15     3.3332     0.0423    -0.4729	C.2	1	noname	0.1433
20	C16     3.1314     5.7664    -0.9924	C.3	1	noname	0.0364
21	H1     0.5818     4.4283    -1.2488	H	1	noname	0.0322
22	H2     1.9042     3.3754    -1.6192	H	1	noname	0.0322
23	H3    -2.1820     0.7922    -2.1148	H	1	noname	0.0434
24	H4    -0.4335     0.5780    -2.6194	H	1	noname	0.0434
25	H5    -2.7779     1.8997    -0.6539	H	1	noname	0.0475
26	H6    -2.5311     3.5328    -1.2497	H	1	noname	0.0475
27	H7    -1.5053     0.0449     0.1655	H	1	noname	0.0326
28	H8    -1.0957    -1.2219    -0.9696	H	1	noname	0.0326
29	H9     2.9795     3.7581     0.4865	H	1	noname	0.0649
30	H10    -2.3149     3.4707     1.2814	H	1	noname	0.0593
31	H11     2.6593     1.0289     1.3398	H	1	noname	0.0420
32	H12     3.0155     2.1465     0.1287	H	1	noname	0.0420
33	H13    -0.1980     3.4322     2.7954	H	1	noname	0.0623
34	H14     1.7958     4.5700     2.4818	H	1	noname	0.0603
35	H15     0.7089    -2.1022    -0.8010	H	1	noname	0.0621
36	H16     1.4857    -1.5571     0.7725	H	1	noname	0.0621
37	H17     3.3705     6.8170    -1.1570	H	1	noname	0.0529
38	H18     2.5774     5.3814    -1.8485	H	1	noname	0.0529
39	H19     4.0538     5.1984    -0.8713	H	1	noname	0.0529
@<TRIPOS>BOND
1	13	1	1
2	1	20	1
3	2	18	1
4	2	19	1
5	3	19	2
6	4	5	1
7	4	9	1
8	4	10	1
9	5	6	1
10	5	7	1
11	5	8	1
12	6	11	2
13	6	15	1
14	7	13	1
15	7	21	1
16	7	22	1
17	8	14	2
18	8	16	1
19	9	12	1
20	9	23	1
21	9	24	1
22	10	14	1
23	10	25	1
24	10	26	1
25	11	12	1
26	11	18	1
27	12	27	1
28	12	28	1
29	13	17	1
30	13	29	1
31	14	30	1
32	15	19	1
33	15	31	1
34	15	32	1
35	16	17	2
36	16	33	1
37	17	34	1
38	18	35	1
39	18	36	1
40	20	37	1
41	20	38	1
42	20	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1