@<TRIPOS>MOLECULE
DB02119
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.3552     0.7636     1.2134	O.2	1	noname	-0.2751
2	C1     1.3566     0.1331     0.1341	C.2	1	noname	0.0907
3	N1     2.4644     0.1558    -0.6770	N.3	1	noname	0.0505
4	C2     0.2099    -0.6123    -0.2606	C.2	1	noname	0.0936
5	C3     2.5390    -0.5038    -1.8723	C.2	1	noname	-0.0797
6	N2    -0.9343    -0.7477     0.4300	N.2	1	noname	-0.1887
7	C4     0.3531    -1.3271    -1.4833	C.2	1	noname	0.0064
8	N3     1.4733    -1.2608    -2.2573	N.2	1	noname	-0.2164
9	N4     3.6303    -0.4085    -2.6441	N.3	1	noname	-0.1236
10	C5    -1.9089    -1.5335     0.0721	C.2	1	noname	0.0514
11	N5    -0.6669    -2.1366    -1.8882	N.3	1	noname	-0.1030
12	C6    -1.8806    -2.3448    -1.1449	C.3	1	noname	0.0424
13	C7    -3.0648    -1.6070     0.9107	C.3	1	noname	0.0828
14	O2    -2.8876    -2.6372     1.8718	O.3	1	noname	-0.3902
15	H1     3.2693     0.6874    -0.3776	H	1	noname	0.1400
16	H2     4.1176    -1.2440    -2.9350	H	1	noname	0.1268
17	H3     3.9655     0.4988    -2.9350	H	1	noname	0.1268
18	H4    -0.5176    -2.6001    -2.7730	H	1	noname	0.1301
19	H5    -1.8632    -3.3868    -0.8255	H	1	noname	0.0496
20	H6    -2.6888    -1.9829    -1.7805	H	1	noname	0.0496
21	H7    -3.1153    -0.6691     1.4637	H	1	noname	0.0628
22	H8    -3.8975    -1.9113     0.2765	H	1	noname	0.0628
23	H9    -2.9515    -2.2656     2.7546	H	1	noname	0.2105
@<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	2
7	5	8	2
8	5	9	1
9	6	10	2
10	7	11	1
11	7	8	1
12	10	12	1
13	10	13	1
14	11	12	1
15	13	14	1
16	3	15	1
17	9	16	1
18	9	17	1
19	11	18	1
20	12	19	1
21	12	20	1
22	13	21	1
23	13	22	1
24	14	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1