@<TRIPOS>MOLECULE
DB01739
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.5968    -2.3806    -0.2147	O.2	1	noname	-0.2495
2	C1     1.7276    -1.1563    -0.4299	C.2	1	noname	0.1438
3	O2     2.5603    -0.7270    -1.4020	O.3	1	noname	-0.2139
4	C2     0.9799    -0.1905     0.3700	C.3	1	noname	0.0938
5	N1     1.9141     0.6907     1.0687	N.3	1	noname	-0.3192
6	C3     0.0808     0.6427    -0.5456	C.3	1	noname	-0.0196
7	C4    -0.7027     1.6548     0.2926	C.3	1	noname	-0.0515
8	C5     0.9428     1.3859    -1.5681	C.3	1	noname	-0.0605
9	C6    -1.5647     0.9116     1.3151	C.3	1	noname	-0.0650
10	H1     2.9448    -1.4834    -1.8510	H	1	noname	0.2213
11	H2     0.4056    -0.7397     1.1160	H	1	noname	0.0574
12	H3     2.8370     0.3587     1.3101	H	1	noname	0.1191
13	H4     1.6367     1.6313     1.3101	H	1	noname	0.1191
14	H5    -0.6157    -0.0143    -1.0666	H	1	noname	0.0321
15	H6     0.0306     2.2299     0.8580	H	1	noname	0.0267
16	H7    -1.3876     2.1627    -0.3865	H	1	noname	0.0267
17	H8     1.6677     2.0108    -1.0465	H	1	noname	0.0234
18	H9     1.4686     0.6641    -2.1932	H	1	noname	0.0234
19	H10     0.3063     2.0122    -2.1932	H	1	noname	0.0234
20	H11    -1.2493     1.1836     2.3224	H	1	noname	0.0230
21	H12    -2.6106     1.1850     1.1757	H	1	noname	0.0230
22	H13    -1.4484    -0.1631     1.1757	H	1	noname	0.0230
@<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	6	8	1
8	7	9	1
9	3	10	1
10	4	11	1
11	5	12	1
12	5	13	1
13	6	14	1
14	7	15	1
15	7	16	1
16	8	17	1
17	8	18	1
18	8	19	1
19	9	20	1
20	9	21	1
21	9	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1