@<TRIPOS>MOLECULE
DB03829
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -0.5757    -5.6415     2.1699	P	1	noname	0.0149
2	O1    -0.4096    -5.9285     3.5712	O.2	1	noname	-0.1967
3	O2    -1.1245    -4.2127     2.0001	O.3	1	noname	-0.1525
4	O3     0.7848    -5.7570     1.4576	O.3	1	noname	-0.1645
5	O4    -1.5649    -6.6480     1.5535	O.3	1	noname	-0.1645
6	C1    -1.2882    -3.9297     0.6182	C.3	1	noname	0.0914
7	C2    -1.8334    -2.5102     0.4494	C.3	1	noname	0.1114
8	O5    -0.9191    -1.5799     1.0191	O.3	1	noname	-0.3619
9	C3    -1.9695    -2.1907    -1.0370	C.3	1	noname	0.1113
10	C4    -1.2666    -0.3721     0.3584	C.3	1	noname	0.1175
11	O6    -3.3444    -2.1599    -1.3906	O.3	1	noname	-0.3874
12	C5    -1.3954    -0.7941    -1.1227	C.3	1	noname	0.1131
13	C6    -0.3288     0.7248     0.7108	C.2	1	noname	0.0546
14	O7    -2.3216     0.0589    -1.7791	O.3	1	noname	-0.3871
15	C7    -0.2049     1.1116     2.0754	C.2	1	noname	0.0712
16	C8     0.4845     1.4362    -0.2208	C.2	1	noname	-0.0397
17	O8    -0.8998     0.5438     2.9457	O.2	1	noname	-0.2861
18	N1     0.6702     2.1019     2.4439	N.3	1	noname	0.0793
19	N2     1.3387     2.4189     0.1830	N.3	1	noname	0.0187
20	C9     1.4352     2.7498     1.5059	C.2	1	noname	0.0199
21	O9     2.2260     3.6491     1.8642	O.2	1	noname	-0.2831
22	H1     1.4846    -5.8164     2.1120	H	1	noname	0.2283
23	H2    -2.0244    -7.1156     2.2549	H	1	noname	0.2283
24	H3    -0.2843    -3.9584     0.1946	H	1	noname	0.0605
25	H4    -2.0483    -4.6274     0.2666	H	1	noname	0.0605
26	H5    -2.7764    -2.3891     0.9824	H	1	noname	0.0656
27	H6    -1.5338    -2.9169    -1.7233	H	1	noname	0.0657
28	H7    -2.1958     0.0561     0.7343	H	1	noname	0.0685
29	H8    -3.8795    -2.1478    -0.5937	H	1	noname	0.2106
30	H9    -0.4897    -0.7138    -1.7239	H	1	noname	0.0660
31	H10    -2.8381     0.5346    -1.1244	H	1	noname	0.2107
32	H11     0.4518     1.2193    -1.2884	H	1	noname	0.0759
33	H12     0.7523     2.3571     3.4177	H	1	noname	0.1417
34	H13     1.9023     2.9038    -0.5007	H	1	noname	0.1379
@<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	1
16	13	16	2
17	15	17	2
18	15	18	1
19	16	19	1
20	18	20	1
21	19	20	1
22	20	21	2
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	12	30	1
32	14	31	1
33	16	32	1
34	18	33	1
35	19	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1