@<TRIPOS>MOLECULE
DB06795
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.7364    -1.4073    -0.0212	S	1	noname	-0.1222
2	O1    -0.2964    -2.6242     0.9028	O.2	1	noname	-0.1997
3	O2    -1.4777    -1.9638    -1.3131	O.2	1	noname	-0.1997
4	N1    -1.8101    -0.3724     0.8597	N.3	1	noname	-0.0107
5	C1     0.6638    -0.5116    -0.5007	C.2	1	noname	0.0199
6	C2     1.1130     0.5467     0.2805	C.2	1	noname	0.0143
7	C3     1.3396    -0.8502    -1.6672	C.2	1	noname	0.0143
8	C4     2.2380     1.2665    -0.1048	C.2	1	noname	-0.0276
9	C5     2.4646    -0.1305    -2.0525	C.2	1	noname	-0.0276
10	C6     2.9138     0.9279    -1.2713	C.2	1	noname	-0.0187
11	C7     4.0955     1.6838    -1.6760	C.3	1	noname	0.0178
12	N2     3.6908     2.8027    -2.5256	N.3	1	noname	-0.3265
13	H1    -1.5162     0.5591     1.1165	H	1	noname	0.1404
14	H2    -2.7302    -0.7004     1.1165	H	1	noname	0.1404
15	H3     0.5830     0.8123     1.1952	H	1	noname	0.0639
16	H4     0.9873    -1.6801    -2.2798	H	1	noname	0.0639
17	H5     2.5902     2.0964     0.5078	H	1	noname	0.0626
18	H6     2.9946    -0.3960    -2.9673	H	1	noname	0.0626
19	H7     4.5191     2.1143    -0.7686	H	1	noname	0.0476
20	H8     4.6968     1.0188    -2.2960	H	1	noname	0.0476
21	H9     4.3736     3.4867    -2.8190	H	1	noname	0.1187
22	H10     2.7285     2.8917    -2.8190	H	1	noname	0.1187
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	2
6	5	7	1
7	6	8	1
8	7	9	2
9	8	10	2
10	9	10	1
11	10	11	1
12	11	12	1
13	4	13	1
14	4	14	1
15	6	15	1
16	7	16	1
17	8	17	1
18	9	18	1
19	11	19	1
20	11	20	1
21	12	21	1
22	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1