@<TRIPOS>MOLECULE
DB03628
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -2.7444    -2.2166     0.5776	P	1	noname	0.0538
2	O1    -3.0972    -2.5539    -0.7771	O.2	1	noname	-0.2080
3	O2    -2.3569    -3.4966     1.3411	O.3	1	noname	-0.1767
4	O3    -3.9472    -1.5498     1.2705	O.3	1	noname	-0.1767
5	C1    -1.5206    -1.2172     0.5698	C.2	1	noname	0.1962
6	O4    -1.0515    -0.7950     1.6488	O.2	1	noname	-0.2270
7	N1    -0.9855    -0.8223    -0.5935	N.3	1	noname	-0.1120
8	C2     0.0524     0.0252    -0.6001	C.2	1	noname	-0.0296
9	C3     0.9568     0.0248     0.4554	C.2	1	noname	-0.0348
10	C4     0.2247     0.9048    -1.6626	C.2	1	noname	-0.0348
11	C5     2.0335     0.9039     0.4485	C.2	1	noname	-0.0569
12	C6     1.3013     1.7840    -1.6694	C.2	1	noname	-0.0569
13	C7     2.2057     1.7835    -0.6139	C.2	1	noname	-0.0550
14	C8     3.3365     2.7070    -0.6211	C.3	1	noname	0.0033
15	C9     4.5316     2.0445    -1.3095	C.3	1	noname	-0.0613
16	H1    -2.4064    -3.3331     2.2858	H	1	noname	0.2264
17	H2    -3.8410    -1.6086     2.2228	H	1	noname	0.2264
18	H3    -1.3644    -1.1635    -1.4654	H	1	noname	0.1379
19	H4     0.8218    -0.6650     1.2885	H	1	noname	0.0639
20	H5    -0.4845     0.9052    -2.4903	H	1	noname	0.0639
21	H6     2.7427     0.9036     1.2762	H	1	noname	0.0626
22	H7     1.4363     2.4738    -2.5025	H	1	noname	0.0626
23	H8     3.0292     3.5525    -1.2366	H	1	noname	0.0313
24	H9     3.6034     2.8623     0.4243	H	1	noname	0.0313
25	H10     5.2198     1.6630    -0.5552	H	1	noname	0.0234
26	H11     4.1817     1.2209    -1.9319	H	1	noname	0.0234
27	H12     5.0447     2.7776    -1.9319	H	1	noname	0.0234
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	5	6	2
6	5	7	1
7	7	8	1
8	8	9	2
9	8	10	1
10	9	11	1
11	10	12	2
12	11	13	2
13	12	13	1
14	13	14	1
15	14	15	1
16	3	16	1
17	4	17	1
18	7	18	1
19	9	19	1
20	10	20	1
21	11	21	1
22	12	22	1
23	14	23	1
24	14	24	1
25	15	25	1
26	15	26	1
27	15	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1