@<TRIPOS>MOLECULE
DB03997
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -4.7924    -3.0659     0.4499	P	1	noname	0.0146
2	O1    -5.0586    -4.2177     1.2721	O.2	1	noname	-0.1967
3	O2    -3.2746    -2.8098     0.4010	O.3	1	noname	-0.1534
4	O3    -5.3162    -3.3207    -0.9757	O.3	1	noname	-0.1646
5	O4    -5.5017    -1.8353     1.0451	O.3	1	noname	-0.1646
6	C1    -3.0121    -1.6739    -0.4098	C.3	1	noname	0.0780
7	C2    -1.5042    -1.4195    -0.4583	C.3	1	noname	0.0344
8	N1    -0.8308    -2.5877    -1.0234	N.3	1	noname	-0.3253
9	C3    -1.2214    -0.1957    -1.3319	C.3	1	noname	0.0084
10	C4     0.2175     0.0471    -1.3783	C.2	1	noname	0.0140
11	N2     1.0076     0.3047    -0.3269	N.2	1	noname	-0.2384
12	C5     1.0088     0.0519    -2.5199	C.2	1	noname	-0.0703
13	C6     2.2591     0.4676    -0.7853	C.2	1	noname	-0.0514
14	N3     2.2617     0.3142    -2.1191	N.3	1	noname	-0.0514
15	H1    -5.3733    -4.2663    -1.1314	H	1	noname	0.2283
16	H2    -5.4744    -1.8827     2.0035	H	1	noname	0.2283
17	H3    -3.3405    -1.9498    -1.4119	H	1	noname	0.0593
18	H4    -3.4798    -0.8347     0.1052	H	1	noname	0.0593
19	H5    -1.1056    -1.2758     0.5460	H	1	noname	0.0490
20	H6    -1.3560    -3.4280    -1.2185	H	1	noname	0.1187
21	H7     0.1596    -2.5544    -1.2185	H	1	noname	0.1187
22	H8    -1.5165    -0.4437    -2.3515	H	1	noname	0.0349
23	H9    -1.6558     0.6714    -0.8344	H	1	noname	0.0349
24	H10     0.7002    -0.1203    -3.5510	H	1	noname	0.0808
25	H11     3.1330     0.6890    -0.1727	H	1	noname	0.1013
26	H12     3.0704     0.3843    -2.7201	H	1	noname	0.1531
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	6	7	1
7	7	8	1
8	7	9	1
9	9	10	1
10	10	11	1
11	10	12	2
12	11	13	2
13	12	14	1
14	13	14	1
15	4	15	1
16	5	16	1
17	6	17	1
18	6	18	1
19	7	19	1
20	8	20	1
21	8	21	1
22	9	22	1
23	9	23	1
24	12	24	1
25	13	25	1
26	14	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1