@<TRIPOS>MOLECULE
DB03233
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -4.2957    -4.7519    -0.8261	P	1	noname	0.0149
2	O1    -4.7481    -5.0171    -2.1672	O.2	1	noname	-0.1967
3	O2    -3.5749    -3.3916    -0.7871	O.3	1	noname	-0.1526
4	O3    -5.5052    -4.7196     0.1267	O.3	1	noname	-0.1645
5	O4    -3.3232    -5.8610    -0.3837	O.3	1	noname	-0.1645
6	C1    -3.1288    -3.1301     0.5354	C.3	1	noname	0.0903
7	C2    -2.4127    -1.7786     0.5742	C.3	1	noname	0.0992
8	O5    -3.3153    -0.7492     0.1636	O.3	1	noname	-0.3548
9	C3    -1.9433    -1.4897     2.0051	C.3	1	noname	0.0368
10	C4    -2.6745     0.4088     0.7067	C.3	1	noname	0.1245
11	N1    -0.5028    -1.7207     2.1014	N.3	1	noname	-0.3252
12	C5    -2.2278     0.0010     2.1294	C.3	1	noname	0.0057
13	N2    -3.5132     1.5652     0.5166	N.3	1	noname	0.0573
14	C6    -3.3205     2.2659    -0.6543	C.2	1	noname	0.1090
15	C7    -4.4937     1.9521     1.4243	C.2	1	noname	-0.0393
16	O6    -2.4520     1.9137    -1.4814	O.2	1	noname	-0.2475
17	N3    -4.1119     3.3614    -0.8827	N.2	1	noname	-0.1274
18	C8    -5.3216     3.0881     1.2275	C.2	1	noname	0.0283
19	C9    -5.0753     3.7762     0.0093	C.2	1	noname	0.0445
20	C10    -6.3347     3.5111     2.1900	C.3	1	noname	-0.0346
21	O7    -5.8089     4.8711    -0.2829	O.3	1	noname	-0.2561
22	H1    -5.1967    -4.7279     1.0357	H	1	noname	0.2283
23	H2    -3.2925    -5.8960     0.5752	H	1	noname	0.2283
24	H3    -4.0341    -3.0500     1.1372	H	1	noname	0.0605
25	H4    -2.3960    -3.9068     0.7540	H	1	noname	0.0605
26	H5    -1.5841    -1.7545    -0.1335	H	1	noname	0.0645
27	H6    -2.3843    -2.1135     2.7827	H	1	noname	0.0491
28	H7    -1.8136     0.7500     0.1318	H	1	noname	0.0788
29	H8    -0.1438    -2.6641     2.1347	H	1	noname	0.1187
30	H9     0.1332    -0.9368     2.1347	H	1	noname	0.1187
31	H10    -3.0774     0.1224     2.8013	H	1	noname	0.0324
32	H11    -1.2847     0.5023     2.3472	H	1	noname	0.0324
33	H12    -4.6174     1.3443     2.3205	H	1	noname	0.0762
34	H13    -5.9617     3.3554     3.2023	H	1	noname	0.0281
35	H14    -6.5565     4.5682     2.0432	H	1	noname	0.0281
36	H15    -7.2423     2.9256     2.0432	H	1	noname	0.0281
37	H16    -6.0919     5.2935     0.5314	H	1	noname	0.2199
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	7	6	1
7	7	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	9	12	1
12	10	13	1
13	10	12	1
14	13	14	1
15	13	15	1
16	14	16	2
17	14	17	1
18	15	18	2
19	17	19	2
20	18	20	1
21	18	19	1
22	19	21	1
23	4	22	1
24	5	23	1
25	6	24	1
26	6	25	1
27	7	26	1
28	9	27	1
29	10	28	1
30	11	29	1
31	11	30	1
32	12	31	1
33	12	32	1
34	15	33	1
35	20	34	1
36	20	35	1
37	20	36	1
38	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1