@<TRIPOS>MOLECULE
DB03227
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -3.5240    -3.0065    -2.9629	P	1	noname	0.0149
2	O1    -4.3489    -2.2367    -3.8577	O.2	1	noname	-0.1967
3	O2    -3.4020    -2.2704    -1.6158	O.3	1	noname	-0.1525
4	O3    -2.1240    -3.1835    -3.5797	O.3	1	noname	-0.1645
5	O4    -4.1636    -4.3890    -2.7364	O.3	1	noname	-0.1645
6	C1    -2.5886    -3.0295    -0.7335	C.3	1	noname	0.0916
7	C2    -2.4675    -2.2981     0.6049	C.3	1	noname	0.1173
8	O5    -1.8740    -1.0155     0.3947	O.3	1	noname	-0.3196
9	C3    -1.5228    -3.0821     1.5346	C.3	1	noname	0.1174
10	C4    -0.4949    -1.3413     0.2081	C.3	1	noname	0.1745
11	O6    -1.9234    -2.8943     2.8840	O.3	1	noname	-0.3871
12	C5    -0.1701    -2.3950     1.3022	C.3	1	noname	0.1595
13	N1     0.3008    -0.1441     0.0975	N.2	1	noname	-0.0226
14	O7     0.7584    -3.3390     0.7893	O.3	1	noname	-0.3813
15	C6     0.4735     0.3060    -1.2109	C.2	1	noname	0.1844
16	C7     0.8234     0.5324     1.2063	C.2	1	noname	0.1594
17	C8     1.2206     1.4978    -1.4594	C.2	1	noname	0.0756
18	C9     1.5879     1.7250     1.0192	C.2	1	noname	0.0417
19	C10     1.4140     1.9741    -2.7509	C.2	1	noname	0.0290
20	C11     1.7620     2.1818    -0.3246	C.2	1	noname	0.0240
21	O8     2.0721     3.0199    -2.9393	O.2	1	noname	-0.2927
22	N2     0.8948     1.3121    -3.7939	N.3	1	noname	-0.0841
23	H1    -1.4735    -3.2658    -2.8786	H	1	noname	0.2283
24	H2    -4.2407    -4.5554    -1.7941	H	1	noname	0.2283
25	H3    -3.1330    -3.9582    -0.5627	H	1	noname	0.0605
26	H4    -1.6018    -3.0533    -1.1958	H	1	noname	0.0605
27	H5    -3.4552    -2.1358     1.0363	H	1	noname	0.0659
28	H6    -1.5277    -4.1652     1.4125	H	1	noname	0.0659
29	H7    -0.2759    -1.7387    -0.7829	H	1	noname	0.1331
30	H8    -2.0478    -3.7491     3.3028	H	1	noname	0.2106
31	H9     0.3192    -2.0177     2.2001	H	1	noname	0.0724
32	H10     1.1968    -3.7849     1.5177	H	1	noname	0.2110
33	H11     0.0313    -0.2653    -2.0270	H	1	noname	0.1271
34	H12     0.6371     0.1350     2.2040	H	1	noname	0.1263
35	H13     2.0191     2.2623     1.8639	H	1	noname	0.0681
36	H14     2.3343     3.0942    -0.4918	H	1	noname	0.0635
37	H15    -0.0839     1.0626    -3.7972	H	1	noname	0.1274
38	H16     1.4822     1.0626    -4.5767	H	1	noname	0.1274
@<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	12	14	1
15	13	15	2
16	13	16	1
17	15	17	1
18	16	18	2
19	17	19	1
20	17	20	2
21	18	20	1
22	19	21	2
23	19	22	1
24	4	23	1
25	5	24	1
26	6	25	1
27	6	26	1
28	7	27	1
29	9	28	1
30	10	29	1
31	11	30	1
32	12	31	1
33	14	32	1
34	15	33	1
35	16	34	1
36	18	35	1
37	20	36	1
38	22	37	1
39	22	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1