@<TRIPOS>MOLECULE
DB02847
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0862     0.9596     0.5285	O.3	1	noname	-0.3860
2	C1    -0.6867     0.0968    -0.2928	C.3	1	noname	0.0997
3	C2    -1.0265     0.8094    -1.6034	C.3	1	noname	0.0810
4	C3    -1.9798    -0.2767     0.4347	C.3	1	noname	0.0238
5	C4     0.1134    -1.1719    -0.5947	C.3	1	noname	-0.0323
6	O2    -1.7690     1.9869    -1.3233	O.3	1	noname	-0.3903
7	C5    -1.8592    -0.1202    -2.4884	C.3	1	noname	-0.0361
8	N1    -1.6551    -0.9577     1.6870	N.3	1	noname	-0.3277
9	H1    -0.0889     0.7641     1.4519	H	1	noname	0.2110
10	H2    -0.1268     1.1478    -2.1174	H	1	noname	0.0627
11	H3    -2.4776     0.6508     0.7176	H	1	noname	0.0456
12	H4    -2.5023    -1.0104    -0.1792	H	1	noname	0.0456
13	H5     0.4115    -1.6447     0.3411	H	1	noname	0.0261
14	H6    -0.5035    -1.8622    -1.1701	H	1	noname	0.0261
15	H7     1.0021    -0.9127    -1.1701	H	1	noname	0.0261
16	H8    -1.8411     2.1012    -0.3728	H	1	noname	0.2105
17	H9    -2.4536    -0.7837    -1.8602	H	1	noname	0.0258
18	H10    -2.5216     0.4742    -3.1177	H	1	noname	0.0258
19	H11    -1.1958    -0.7135    -3.1177	H	1	noname	0.0258
20	H12    -0.6963    -1.1929     1.9001	H	1	noname	0.1185
21	H13    -2.3897    -1.1929     2.3391	H	1	noname	0.1185
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	1	9	1
9	3	10	1
10	4	11	1
11	4	12	1
12	5	13	1
13	5	14	1
14	5	15	1
15	6	16	1
16	7	17	1
17	7	18	1
18	7	19	1
19	8	20	1
20	8	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1