@<TRIPOS>MOLECULE
DB01993
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -2.1971    -2.8204    -0.6608	P	1	noname	0.0155
2	O1    -3.1033    -2.9720    -1.7696	O.2	1	noname	-0.1965
3	O2    -1.5000    -1.4502    -0.7512	O.3	1	noname	-0.1511
4	O3    -2.9829    -2.9104     0.6605	O.3	1	noname	-0.1644
5	O4    -1.1391    -3.9385    -0.7060	O.3	1	noname	-0.1644
6	C1    -0.6063    -1.3007     0.3421	C.3	1	noname	0.0894
7	C2     0.0546    -0.0017     0.2564	C.2	1	noname	-0.0044
8	C3     1.4835     0.0947     0.1492	C.2	1	noname	0.0076
9	C4    -0.7049     1.2159     0.2770	C.2	1	noname	-0.0060
10	C5     2.1550     1.3603     0.0637	C.2	1	noname	0.0324
11	C6     2.2765    -1.1309     0.1264	C.3	1	noname	0.0244
12	N1    -0.0334     2.4263     0.1930	N.2	1	noname	-0.2528
13	O5     3.4993     1.4323    -0.0367	O.3	1	noname	-0.2763
14	C7     1.3492     2.5441     0.0885	C.2	1	noname	0.0275
15	N2     3.0306    -1.2003    -1.1241	N.3	1	noname	-0.3014
16	C8     1.9724     3.8618     0.0051	C.3	1	noname	0.0427
17	C9     3.8247    -2.4277    -1.1469	C.3	1	noname	0.0911
18	C10     2.8951    -3.6385    -1.0441	C.2	1	noname	0.1437
19	C11     4.5778    -2.4970    -2.3957	C.3	1	noname	-0.0401
20	O6     3.0118    -4.4368    -0.0892	O.2	1	noname	-0.2496
21	O7     1.9488    -3.8448    -1.9846	O.3	1	noname	-0.2140
22	H1    -3.1192    -3.8326     0.8896	H	1	noname	0.2283
23	H2    -0.9010    -4.1902     0.1893	H	1	noname	0.2283
24	H3    -1.2221    -1.2915     1.2415	H	1	noname	0.0629
25	H4     0.1621    -2.0634     0.2156	H	1	noname	0.0629
26	H5    -1.7920     1.2214     0.3563	H	1	noname	0.0843
27	H6     3.0072    -1.0474     0.9309	H	1	noname	0.0480
28	H7     1.5708    -1.9616     0.1153	H	1	noname	0.0480
29	H8     3.8852     1.4530     0.8421	H	1	noname	0.2182
30	H9     3.0067    -0.5075    -1.8587	H	1	noname	0.1233
31	H10     2.1526     4.2428     1.0103	H	1	noname	0.0296
32	H11     2.9195     3.7827    -0.5287	H	1	noname	0.0296
33	H12     1.3104     4.5437    -0.5287	H	1	noname	0.0296
34	H13     4.5369    -2.3889    -0.3226	H	1	noname	0.0570
35	H14     4.7400    -3.5407    -2.6647	H	1	noname	0.0252
36	H15     4.0157    -2.0010    -3.1870	H	1	noname	0.0252
37	H16     5.5399    -2.0010    -2.2678	H	1	noname	0.0252
38	H17     1.1084    -4.0280    -1.5582	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	8	11	1
11	9	12	2
12	10	13	1
13	10	14	2
14	11	15	1
15	12	14	1
16	14	16	1
17	17	15	1
18	17	18	1
19	17	19	1
20	18	20	2
21	18	21	1
22	4	22	1
23	5	23	1
24	6	24	1
25	6	25	1
26	9	26	1
27	11	27	1
28	11	28	1
29	13	29	1
30	15	30	1
31	16	31	1
32	16	32	1
33	16	33	1
34	17	34	1
35	19	35	1
36	19	36	1
37	19	37	1
38	21	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1