@<TRIPOS>MOLECULE
DB00884
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -2.1252    -3.1699    -0.1520	P	1	noname	0.0364
2	O1    -1.2083    -4.1245    -0.7191	O.2	1	noname	-0.2175
3	O2    -2.8136    -3.7882     1.0791	O.3	1	noname	-0.1845
4	O3    -3.1889    -2.7944    -1.2004	O.3	1	noname	-0.1845
5	C1    -1.2986    -1.8160     0.3022	C.3	1	noname	0.2813
6	P2    -2.3492    -0.7222     0.9520	P	1	noname	0.0364
7	O4    -0.3178    -2.1623     1.2689	O.3	1	noname	-0.3642
8	C2    -0.6146    -1.2018    -0.9209	C.3	1	noname	0.0304
9	O5    -2.4523    -0.9405     2.3716	O.2	1	noname	-0.2175
10	O6    -3.7356    -0.8947     0.3041	O.3	1	noname	-0.1845
11	O7    -1.8332     0.7045     0.6881	O.3	1	noname	-0.1845
12	C3     0.1168    -0.0039    -0.5191	C.2	1	noname	-0.0180
13	C4     1.4871    -0.0814    -0.0996	C.2	1	noname	0.0028
14	C5    -0.5142     1.2862    -0.5321	C.2	1	noname	-0.0357
15	N1     2.1409     1.0834     0.2731	N.2	1	noname	-0.2527
16	C6     0.1846     2.4774    -0.1415	C.2	1	noname	-0.0252
17	C7     1.5504     2.3434     0.2684	C.2	1	noname	-0.0027
18	H1    -2.7793    -4.7456     1.0178	H	1	noname	0.2260
19	H2    -3.9910    -2.5113    -0.7553	H	1	noname	0.2260
20	H3    -0.6778    -2.0352     2.1497	H	1	noname	0.2129
21	H4     0.1377    -1.9102    -1.2677	H	1	noname	0.0364
22	H5    -1.3970    -0.8619    -1.5995	H	1	noname	0.0364
23	H6    -4.4016    -0.9775     0.9906	H	1	noname	0.2260
24	H7    -1.6732     1.1468     1.5250	H	1	noname	0.2260
25	H8     2.0314    -1.0250    -0.0640	H	1	noname	0.0842
26	H9    -1.5546     1.3636    -0.8479	H	1	noname	0.0626
27	H10    -0.3053     3.4510    -0.1557	H	1	noname	0.0638
28	H11     2.1431     3.2042     0.5782	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	5	6	1
6	5	7	1
7	5	8	1
8	6	9	2
9	6	10	1
10	6	11	1
11	8	12	1
12	12	13	2
13	12	14	1
14	13	15	1
15	14	16	2
16	15	17	2
17	16	17	1
18	3	18	1
19	4	19	1
20	7	20	1
21	8	21	1
22	8	22	1
23	10	23	1
24	11	24	1
25	13	25	1
26	14	26	1
27	16	27	1
28	17	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1