@<TRIPOS>MOLECULE
DB02813
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.0130     0.0046     2.2158	O.2	1	noname	-0.2462
2	C1     0.1450    -0.1259     1.3259	C.2	1	noname	0.1528
3	O2    -0.1541    -1.3750     0.6354	O.3	1	noname	-0.1952
4	C2    -0.7610     1.0163     0.8047	C.3	1	noname	0.1289
5	C3     0.0290    -1.3677    -0.8011	C.3	1	noname	0.1188
6	N1    -2.0997     0.7546     1.1619	N.3	1	noname	-0.0707
7	C4    -0.6376     1.0658    -0.7520	C.3	1	noname	0.1079
8	C5    -0.8507    -0.2911    -1.4791	C.3	1	noname	0.1111
9	C6     1.5004    -1.1030    -1.1264	C.3	1	noname	0.0728
10	C7    -2.5826     1.2061     2.3275	C.2	1	noname	0.0398
11	O3     0.6282     1.6008    -1.1097	O.3	1	noname	-0.3880
12	O4    -2.2165    -0.6686    -1.3862	O.3	1	noname	-0.3874
13	O5     2.3032    -2.1238    -0.5521	O.3	1	noname	-0.3934
14	O6    -3.7694     0.9741     2.6442	O.2	1	noname	-0.2970
15	C8    -1.7227     1.9691     3.2275	C.3	1	noname	0.0095
16	H1    -0.5430     1.9712     1.2829	H	1	noname	0.0607
17	H2    -0.2758    -2.3630    -1.1244	H	1	noname	0.0662
18	H3    -2.7276     0.2312     0.5688	H	1	noname	0.1319
19	H4    -1.3831     1.7651    -1.1307	H	1	noname	0.0651
20	H5    -0.6558    -0.2218    -2.5493	H	1	noname	0.0657
21	H6     1.6311    -1.2019    -2.2040	H	1	noname	0.0592
22	H7     1.7970    -0.1824    -0.6237	H	1	noname	0.0592
23	H8     1.1235     1.8101    -0.3144	H	1	noname	0.2106
24	H9    -2.4672    -0.7378    -0.4621	H	1	noname	0.2106
25	H10     2.2578    -2.0660     0.4051	H	1	noname	0.2101
26	H11    -1.9825     1.7385     4.2606	H	1	noname	0.0324
27	H12    -0.6811     1.7034     3.0469	H	1	noname	0.0324
28	H13    -1.8624     3.0349     3.0469	H	1	noname	0.0324
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	5	9	1
9	6	10	1
10	7	11	1
11	7	8	1
12	8	12	1
13	9	13	1
14	10	14	2
15	10	15	1
16	4	16	1
17	5	17	1
18	6	18	1
19	7	19	1
20	8	20	1
21	9	21	1
22	9	22	1
23	11	23	1
24	12	24	1
25	13	25	1
26	15	26	1
27	15	27	1
28	15	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1