@<TRIPOS>MOLECULE
DB04464
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.1495    -3.4622    -1.4455	S.3	1	noname	-0.1652
2	C1    -1.0422    -1.8922    -0.5715	C.3	1	noname	-0.0050
3	C2    -2.7241    -4.2503    -1.0721	C.3	1	noname	-0.0184
4	C3     0.2962    -1.2223    -0.8889	C.3	1	noname	-0.0186
5	C4     0.3875     0.1121    -0.1461	C.3	1	noname	0.1004
6	N1    -0.6677     0.9521    -0.5574	N.3	1	noname	-0.0768
7	C5     1.6647     0.7514    -0.4490	C.2	1	noname	0.1440
8	C6    -1.5384     1.3870     0.3194	C.2	1	noname	0.0330
9	O1     2.4695     1.0073     0.4725	O.2	1	noname	-0.2494
10	O2     1.9764     1.0660    -1.7243	O.3	1	noname	-0.2138
11	O3    -2.4515     2.1138    -0.0364	O.2	1	noname	-0.3022
12	H1    -1.7829    -1.2011    -0.9738	H	1	noname	0.0380
13	H2    -0.9949    -2.0764     0.5017	H	1	noname	0.0380
14	H3    -2.8513    -4.3140     0.0086	H	1	noname	0.0343
15	H4    -3.5356    -3.6612    -1.4993	H	1	noname	0.0343
16	H5    -2.7390    -5.2530    -1.4993	H	1	noname	0.0343
17	H6     1.0750    -1.8650    -0.4782	H	1	noname	0.0296
18	H7     0.2870    -0.9897    -1.9538	H	1	noname	0.0296
19	H8     0.2905     0.0048     0.9343	H	1	noname	0.0578
20	H9    -0.8045     1.2522    -1.5120	H	1	noname	0.1315
21	H10    -1.5021     1.1361     1.3795	H	1	noname	0.1231
22	H11     2.1003     0.2605    -2.2315	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	5	7	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	11	2
11	2	12	1
12	2	13	1
13	3	14	1
14	3	15	1
15	3	16	1
16	4	17	1
17	4	18	1
18	5	19	1
19	6	20	1
20	8	21	1
21	10	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1