@<TRIPOS>MOLECULE
DB02369
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     3.1342    -1.6195     0.5125	P	1	noname	-0.1376
2	O1     3.9502    -2.4537    -0.3311	O.2	1	noname	-0.3670
3	O2     3.9218    -0.3538     0.8991	O.3	1	noname	-0.2213
4	O3     1.8558    -1.2169    -0.2459	O.3	1	noname	-0.2529
5	O4     2.7523    -2.3955     1.7867	O.3	1	noname	-0.3670
6	P2     5.2002    -0.7564     1.6575	P	1	noname	-0.2777
7	C1     1.0511    -0.3943     0.5860	C.3	1	noname	0.0625
8	O5     5.9366     0.4271     2.0189	O.2	1	noname	-0.5228
9	O6     4.8183    -1.5324     2.9317	O.3	1	noname	-0.5228
10	O7     6.0729    -1.6485     0.7553	O.3	1	noname	-0.5228
11	C2    -0.2190     0.0057    -0.1675	C.3	1	noname	0.0214
12	N1    -1.0476     0.8526     0.6891	N.3	1	noname	-0.3037
13	C3    -2.2612     1.2348    -0.0310	C.3	1	noname	0.0015
14	C4    -0.2998     2.0542     1.0560	C.3	1	noname	-0.0132
15	C5    -3.1283     2.1211     0.8654	C.3	1	noname	-0.0219
16	C6    -4.3153     2.4949     0.1611	C.2	1	noname	-0.0831
17	C7    -5.2217     3.2701     0.7499	C.2	1	noname	-0.0818
18	C8    -5.0090     3.7297     2.0873	C.3	1	noname	-0.0442
19	C9    -6.4087     3.6439     0.0457	C.3	1	noname	-0.0442
20	H1     0.7608    -1.0256     1.4258	H	1	noname	0.0578
21	H2     1.6388     0.5072     0.7595	H	1	noname	0.0578
22	H3     0.0807     0.6311    -1.0084	H	1	noname	0.0454
23	H4    -0.7973    -0.9017    -0.3420	H	1	noname	0.0454
24	H5    -1.9315     1.8422    -0.8739	H	1	noname	0.0433
25	H6    -2.8095     0.3094    -0.2075	H	1	noname	0.0433
26	H7    -0.2503     2.1338     2.1420	H	1	noname	0.0394
27	H8     0.7097     1.9921     0.6498	H	1	noname	0.0394
28	H9    -0.8015     2.9325     0.6498	H	1	noname	0.0394
29	H10    -3.4653     1.5180     1.7085	H	1	noname	0.0323
30	H11    -2.5873     3.0508     1.0421	H	1	noname	0.0323
31	H12    -4.5367     2.1786    -0.8582	H	1	noname	0.0575
32	H13    -4.9031     2.8733     2.7532	H	1	noname	0.0276
33	H14    -4.1020     4.3330     2.1242	H	1	noname	0.0276
34	H15    -5.8599     4.3330     2.4037	H	1	noname	0.0276
35	H16    -7.1931     3.8909     0.7611	H	1	noname	0.0276
36	H17    -6.2017     4.5117    -0.5805	H	1	noname	0.0276
37	H18    -6.7363     2.8140    -0.5805	H	1	noname	0.0276
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	4	7	1
7	6	8	2
8	6	9	1
9	6	10	1
10	7	11	1
11	11	12	1
12	12	13	1
13	12	14	1
14	13	15	1
15	15	16	1
16	16	17	2
17	17	18	1
18	17	19	1
19	7	20	1
20	7	21	1
21	11	22	1
22	11	23	1
23	13	24	1
24	13	25	1
25	14	26	1
26	14	27	1
27	14	28	1
28	15	29	1
29	15	30	1
30	16	31	1
31	18	32	1
32	18	33	1
33	18	34	1
34	19	35	1
35	19	36	1
36	19	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1