@<TRIPOS>MOLECULE
67745814
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.1460     0.0299     0.0768	S.3	1	noname	-0.1988
2	O1     5.2717     2.3887    -0.1934	O.2	1	noname	-0.2698
3	O2     2.3896    -1.8847     0.3162	O.3	1	noname	-0.2039
4	O3     3.2287    -0.3311     1.8066	O.2	1	noname	-0.2498
5	N1     5.0479    -0.5359    -0.7205	N.3	1	noname	-0.3065
6	N2     3.0500     2.2683     0.1213	N.3	1	noname	-0.1211
7	C1     4.3069     0.5867    -1.3076	C.3	1	noname	0.0789
8	C2     5.0940    -1.6420    -1.6755	C.3	1	noname	-0.0044
9	C3     4.2118     1.7558    -0.4023	C.2	1	noname	0.1391
10	C4     5.8664    -2.8123    -1.0634	C.3	1	noname	-0.0435
11	C5     4.9748     1.0091    -2.6177	C.3	1	noname	-0.0412
12	C6     1.7906     1.6969     0.1301	C.2	1	noname	0.0620
13	C7     0.6085     2.4548    -0.1037	C.2	1	noname	0.0215
14	C8     1.5598     0.3266     0.3652	C.2	1	noname	0.0754
15	C9     5.9147    -3.9698    -2.0628	C.3	1	noname	-0.0642
16	C10    -0.5858     1.7109    -0.1615	C.2	1	noname	0.0296
17	C11     0.5909     3.9099    -0.3127	C.3	1	noname	0.0145
18	C12     2.4314    -0.6340     0.8777	C.2	1	noname	0.1159
19	C13     3.2258    -2.9974     0.6442	C.3	1	noname	0.0457
20	H1     3.2985     0.2174    -1.4941	H	1	noname	0.0559
21	H2     4.0787    -1.9606    -1.9117	H	1	noname	0.0428
22	H3     5.5933    -1.3142    -2.5872	H	1	noname	0.0428
23	H4     5.9998    -0.2371    -0.4990	H	1	noname	0.1229
24	H5     5.3671    -3.1400    -0.1516	H	1	noname	0.0277
25	H6     6.8817    -2.4937    -0.8272	H	1	noname	0.0277
26	H7     4.4245     1.8429    -3.0537	H	1	noname	0.0251
27	H8     4.9739     0.1698    -3.3131	H	1	noname	0.0251
28	H9     6.0019     1.3157    -2.4195	H	1	noname	0.0251
29	H10     3.1143     3.1758     0.4739	H	1	noname	0.1372
30	H11     6.4650    -4.8036    -1.6267	H	1	noname	0.0231
31	H12     4.8994    -4.2885    -2.2990	H	1	noname	0.0231
32	H13     6.4140    -3.6421    -2.9745	H	1	noname	0.0231
33	H14    -1.5381     2.0555    -0.3071	H	1	noname	0.0742
34	H15     1.0040     4.4080     0.5645	H	1	noname	0.0280
35	H16    -0.4354     4.2420    -0.4693	H	1	noname	0.0280
36	H17     1.1908     4.1586    -1.1880	H	1	noname	0.0280
37	H18     2.6088    -3.8244     0.9955	H	1	noname	0.0536
38	H19     3.7805    -3.3084    -0.2410	H	1	noname	0.0536
39	H20     3.9254    -2.7075     1.4281	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