@<TRIPOS>MOLECULE
DB04702
39 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.1787    -1.3375     0.6100	S.3	1	noname	0.0513
2	P1     3.7677    -1.9474    -0.2786	P	1	noname	0.0549
3	C1     1.2869    -0.2036    -0.4666	C.3	1	noname	0.0254
4	O1     4.4811    -2.8545     0.5827	O.2	1	noname	-0.2116
5	O2     4.6656    -0.7410    -0.6101	O.3	1	noname	-0.0396
6	O3     3.3813    -2.6729    -1.5808	O.3	1	noname	-0.1790
7	C2     0.1034     0.2506     0.1951	C.2	1	noname	-0.0752
8	P2     5.9401    -1.2302    -1.3227	P	1	noname	0.0547
9	C3    -0.7152     1.1021    -0.4163	C.2	1	noname	-0.0756
10	O4     6.7798    -0.1022    -1.6327	O.2	1	noname	-0.1884
11	O5     5.5537    -1.9557    -2.6250	O.3	1	noname	-0.1593
12	O6     6.7031    -2.2003    -0.4016	O.3	1	noname	-0.1593
13	C4    -1.8986     1.5563     0.2455	C.3	1	noname	-0.0288
14	C5    -0.4118     1.5633    -1.7354	C.3	1	noname	-0.0439
15	C6    -1.5840     2.8265     1.0383	C.3	1	noname	-0.0311
16	C7    -2.7675     3.2807     1.7001	C.2	1	noname	-0.0837
17	C8    -2.7296     4.3768     2.4525	C.2	1	noname	-0.0821
18	C9    -3.9131     4.8311     3.1142	C.3	1	noname	-0.0442
19	C10    -1.5054     5.1011     2.5996	C.3	1	noname	-0.0442
20	H1     1.8532     0.7176    -0.6037	H	1	noname	0.0432
21	H2     0.8889    -0.7327    -1.3325	H	1	noname	0.0432
22	H3     3.4223    -3.6220    -1.4426	H	1	noname	0.2268
23	H4    -0.1842    -0.0625     1.1988	H	1	noname	0.0584
24	H5     5.5947    -2.9048    -2.4868	H	1	noname	0.2283
25	H6     6.5270    -1.9764     0.5151	H	1	noname	0.2283
26	H7    -2.5957     1.8211    -0.5496	H	1	noname	0.0315
27	H8    -2.1560     0.7718     0.9570	H	1	noname	0.0315
28	H9    -0.2605     0.7077    -2.3936	H	1	noname	0.0276
29	H10    -1.2393     2.1668    -2.1085	H	1	noname	0.0276
30	H11     0.4954     2.1668    -1.7097	H	1	noname	0.0276
31	H12    -0.8870     2.5617     1.8334	H	1	noname	0.0313
32	H13    -1.3266     3.6111     0.3268	H	1	noname	0.0313
33	H14    -3.7303     2.7748     1.6287	H	1	noname	0.0575
34	H15    -3.7698     4.7761     4.1934	H	1	noname	0.0276
35	H16    -4.1168     5.8626     2.8269	H	1	noname	0.0276
36	H17    -4.7547     4.2008     2.8269	H	1	noname	0.0276
37	H18    -1.2853     5.2312     3.6592	H	1	noname	0.0276
38	H19    -0.6957     4.5460     2.1259	H	1	noname	0.0276
39	H20    -1.6019     6.0780     2.1259	H	1	noname	0.0276
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	2	6	1
6	3	7	1
7	5	8	1
8	7	9	2
9	8	10	2
10	8	11	1
11	8	12	1
12	9	13	1
13	9	14	1
14	13	15	1
15	15	16	1
16	16	17	2
17	17	18	1
18	17	19	1
19	3	20	1
20	3	21	1
21	6	22	1
22	7	23	1
23	11	24	1
24	12	25	1
25	13	26	1
26	13	27	1
27	14	28	1
28	14	29	1
29	14	30	1
30	15	31	1
31	15	32	1
32	16	33	1
33	18	34	1
34	18	35	1
35	18	36	1
36	19	37	1
37	19	38	1
38	19	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1