@<TRIPOS>MOLECULE
56924246
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.1426     0.1281     0.0669	S.3	1	noname	-0.1988
2	O1     5.3739     2.2371    -0.2643	O.2	1	noname	-0.2698
3	O2     2.3055    -1.9011     0.2722	O.3	1	noname	-0.2039
4	O3     3.2325    -0.3911     1.7553	O.2	1	noname	-0.2498
5	N1     5.0101    -0.6729    -0.7940	N.3	1	noname	-0.3065
6	N2     3.1529     2.2178     0.0770	N.3	1	noname	-0.1211
7	C1     4.3144     0.4838    -1.3700	C.3	1	noname	0.0789
8	C2     6.3937    -0.3090    -0.4928	C.3	1	noname	-0.0044
9	C3     4.2837     1.6539    -0.4615	C.2	1	noname	0.1391
10	C4     7.1190    -1.5149     0.1077	C.3	1	noname	-0.0435
11	C5     2.8835     0.0867    -1.7387	C.3	1	noname	-0.0412
12	C6     1.8689     1.7046     0.1000	C.2	1	noname	0.0620
13	C7     0.7200     2.5163    -0.1183	C.2	1	noname	0.0215
14	C8     1.5784     0.3457     0.3352	C.2	1	noname	0.0754
15	C9     8.5669    -1.1341     0.4229	C.3	1	noname	-0.0642
16	C10    -0.5077     1.8279    -0.1631	C.2	1	noname	0.0296
17	C11     0.7665     3.9712    -0.3243	C.3	1	noname	0.0145
18	C12     2.4111    -0.6550     0.8355	C.2	1	noname	0.1159
19	C13     3.0937    -3.0517     0.5881	C.3	1	noname	0.0457
20	H1     4.8998     0.7503    -2.2500	H	1	noname	0.0559
21	H2     6.4056     0.5146     0.2210	H	1	noname	0.0428
22	H3     6.8966    -0.0023    -1.4099	H	1	noname	0.0428
23	H4     4.9989    -1.4452    -1.4633	H	1	noname	0.1229
24	H5     6.6161    -1.8216     1.0249	H	1	noname	0.0277
25	H6     7.1071    -2.3386    -0.6061	H	1	noname	0.0277
26	H7     2.3668     0.9458    -2.1665	H	1	noname	0.0251
27	H8     2.3568    -0.2457    -0.8441	H	1	noname	0.0251
28	H9     2.9076    -0.7230    -2.4680	H	1	noname	0.0251
29	H10     3.2629     3.1205     0.4305	H	1	noname	0.1372
30	H11     9.0837    -1.9932     0.8508	H	1	noname	0.0231
31	H12     8.5789    -0.3104     1.1367	H	1	noname	0.0231
32	H13     9.0698    -0.8274    -0.4942	H	1	noname	0.0231
33	H14    -1.4450     2.2161    -0.2965	H	1	noname	0.0742
34	H15     1.2125     4.4477     0.5487	H	1	noname	0.0280
35	H16    -0.2453     4.3503    -0.4680	H	1	noname	0.0280
36	H17     1.3667     4.1942    -1.2064	H	1	noname	0.0280
37	H18     2.7727    -3.8921    -0.0274	H	1	noname	0.0536
38	H19     2.9649    -3.3024     1.6410	H	1	noname	0.0536
39	H20     4.1442    -2.8376     0.3914	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	14	1
2	1	16	1
3	2	9	2
4	3	18	1
5	3	19	1
6	4	18	2
7	7	5	1
8	5	8	1
9	5	23	1
10	6	9	1
11	6	12	1
12	6	29	1
13	7	9	1
14	7	11	1
15	7	20	1
16	8	10	1
17	8	21	1
18	8	22	1
19	10	15	1
20	10	24	1
21	10	25	1
22	11	26	1
23	11	27	1
24	11	28	1
25	12	13	1
26	12	14	2
27	13	16	2
28	13	17	1
29	14	18	1
30	15	30	1
31	15	31	1
32	15	32	1
33	16	33	1
34	17	34	1
35	17	35	1
36	17	36	1
37	19	37	1
38	19	38	1
39	19	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1