@<TRIPOS>MOLECULE
DB02499
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.1996    -0.9054     0.3599	O.2	1	noname	-0.2490
2	C1     3.0576    -1.3975     0.4873	C.2	1	noname	0.1446
3	O2     2.7960    -2.2406     1.5088	O.3	1	noname	-0.2135
4	C2     2.0067    -1.0605    -0.4685	C.3	1	noname	0.1111
5	N1     1.5380    -2.2787    -1.1272	N.3	1	noname	-0.3179
6	C3     0.8406    -0.3981     0.2681	C.3	1	noname	0.0666
7	N2    -0.1491    -0.0808    -0.6321	N.2	1	noname	-0.2485
8	C4    -1.2195     0.4833    -0.2300	C.2	1	noname	-0.1004
9	N3    -2.1625     0.7857    -1.0877	N.3	1	noname	-0.0272
10	N4    -1.3764     0.7605     1.0406	N.3	1	noname	-0.1222
11	O3    -3.1532     1.3485    -0.4618	O.3	1	noname	-0.3252
12	H1     2.8742    -3.1473     1.2033	H	1	noname	0.2213
13	H2     2.4350    -0.4054    -1.2270	H	1	noname	0.0591
14	H3     0.5598    -2.3855    -1.3547	H	1	noname	0.1192
15	H4     2.1925    -3.0135    -1.3547	H	1	noname	0.1192
16	H5     0.3885    -1.1329     0.9343	H	1	noname	0.0537
17	H6     1.1785     0.5601     0.6626	H	1	noname	0.0537
18	H7    -2.1305     0.6111    -2.0820	H	1	noname	0.1637
19	H8    -0.5688     0.8673     1.6377	H	1	noname	0.1268
20	H9    -2.3050     0.8673     1.4233	H	1	noname	0.1268
21	H10    -3.0182     1.2718     0.4855	H	1	noname	0.2380
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	2
8	8	9	1
9	8	10	1
10	9	11	1
11	3	12	1
12	4	13	1
13	5	14	1
14	5	15	1
15	6	16	1
16	6	17	1
17	9	18	1
18	10	19	1
19	10	20	1
20	11	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1