@<TRIPOS>MOLECULE
DB02781
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.5639    -4.1519     0.0658	S.3	1	noname	-0.1648
2	C1    -1.6967    -2.3569     0.0454	C.3	1	noname	0.0004
3	C2    -2.6743    -4.8497    -1.1671	C.3	1	noname	-0.0184
4	C3    -0.7528    -1.7637     1.0933	C.3	1	noname	0.0226
5	C4    -0.8606    -0.3078     1.0768	C.2	1	noname	0.1417
6	O1    -1.6960     0.2654     1.8090	O.2	1	noname	-0.2791
7	C5    -0.0521     0.4247     0.2649	C.2	1	noname	0.0615
8	N1     1.1243     0.0828    -0.0860	N.2	1	noname	-0.1792
9	N2    -0.3746     1.5748    -0.2621	N.3	1	noname	0.0749
10	C6     1.7348     0.9951    -0.9110	C.2	1	noname	0.0764
11	C7     0.6692     2.0854    -1.0537	C.2	1	noname	0.0836
12	C8    -1.6114     2.2219    -0.0630	C.3	1	noname	0.0685
13	C9     2.9490     0.9443    -1.4513	C.2	1	noname	0.0131
14	O2     0.7154     3.1517    -1.7044	O.2	1	noname	-0.2771
15	C10    -2.5351     1.8056    -1.0721	C.2	1	noname	0.1332
16	C11     3.3803     1.9563    -2.2510	C.2	1	noname	-0.0828
17	O3    -3.5744     1.2503    -0.7560	O.2	1	noname	-0.3004
18	C12     4.6493     1.9032    -2.8157	C.2	1	noname	-0.0535
19	C13     2.5521     3.0437    -2.5035	C.2	1	noname	-0.0535
20	C14     5.0901     2.9376    -3.6330	C.2	1	noname	-0.0775
21	C15     2.9929     4.0780    -3.3208	C.2	1	noname	-0.0775
22	C16     4.2619     4.0250    -3.8855	C.2	1	noname	-0.0373
23	O4     4.6901     5.0295    -4.6793	O.3	1	noname	-0.8496
24	H1    -1.3117    -1.9748    -0.9001	H	1	noname	0.0384
25	H2    -2.6882    -2.0621     0.3891	H	1	noname	0.0384
26	H3    -3.4944    -5.3651    -0.6672	H	1	noname	0.0343
27	H4    -3.0740    -4.0498    -1.7903	H	1	noname	0.0343
28	H5    -2.1269    -5.5569    -1.7903	H	1	noname	0.0343
29	H6    -1.1093    -2.0796     2.0738	H	1	noname	0.0359
30	H7     0.2672    -1.9923     0.7846	H	1	noname	0.0359
31	H8    -1.9986     1.8643     0.8911	H	1	noname	0.0519
32	H9    -1.4323     3.2865    -0.2139	H	1	noname	0.0519
33	H10     3.5834     0.0832    -1.2413	H	1	noname	0.0653
34	H11    -2.4409     1.9189    -2.1521	H	1	noname	0.1055
35	H12     5.2987     1.0505    -2.6177	H	1	noname	0.0628
36	H13     1.5570     3.0853    -2.0606	H	1	noname	0.0628
37	H14     6.0852     2.8959    -4.0759	H	1	noname	0.0614
38	H15     2.3435     4.9308    -3.5188	H	1	noname	0.0614
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	4	5	1
5	5	6	2
6	5	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	9	11	1
11	9	12	1
12	10	13	2
13	10	11	1
14	11	14	2
15	12	15	1
16	13	16	1
17	15	17	2
18	16	18	2
19	16	19	1
20	18	20	1
21	19	21	2
22	20	22	2
23	21	22	1
24	22	23	1
25	2	24	1
26	2	25	1
27	3	26	1
28	3	27	1
29	3	28	1
30	4	29	1
31	4	30	1
32	12	31	1
33	12	32	1
34	13	33	1
35	15	34	1
36	18	35	1
37	19	36	1
38	20	37	1
39	21	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1