@<TRIPOS>MOLECULE
DB01123
27 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.3516    -0.0266     0.0112	N.2	1	noname	-0.2721
2	C1    -0.0065    -0.0255     0.1423	C.2	1	noname	0.0224
3	C2     2.0616     1.1341    -0.1179	C.2	1	noname	0.0224
4	C3    -0.7337     1.2167     0.1615	C.2	1	noname	-0.0389
5	C4    -0.6918    -1.2733     0.1495	C.2	1	noname	-0.0228
6	C5     1.3779     2.4127    -0.0302	C.2	1	noname	-0.0389
7	C6     3.4720     1.0716    -0.3163	C.2	1	noname	-0.0228
8	C7    -0.0277     2.4409     0.0972	C.2	1	noname	-0.0309
9	C8    -2.1543     1.2344     0.1658	C.2	1	noname	-0.0420
10	C9    -2.1152    -1.2495     0.1191	C.2	1	noname	-0.0236
11	C10     2.1128     3.6357    -0.0714	C.2	1	noname	-0.0420
12	C11     4.1902     2.2992    -0.3986	C.2	1	noname	-0.0236
13	C12    -2.8352    -0.0168     0.1221	C.2	1	noname	-0.0627
14	N2    -2.7916    -2.4058     0.0870	N.3	1	noname	-0.1543
15	C13     3.5233     3.5609    -0.2564	C.2	1	noname	-0.0627
16	N3     5.5128     2.2746    -0.6127	N.3	1	noname	-0.1543
17	H1    -0.1448    -2.2157     0.1775	H	1	noname	0.0662
18	H2     3.9859     0.1142    -0.4024	H	1	noname	0.0662
19	H3    -0.5587     3.3916     0.1451	H	1	noname	0.0636
20	H4    -2.7030     2.1755     0.2015	H	1	noname	0.0630
21	H5     1.6120     4.5979     0.0352	H	1	noname	0.0630
22	H6    -3.9246    -0.0312     0.0904	H	1	noname	0.0639
23	H7    -3.8015    -2.3999     0.0750	H	1	noname	0.1242
24	H8    -2.2915    -3.2832     0.0750	H	1	noname	0.1242
25	H9     4.1017     4.4841    -0.2897	H	1	noname	0.0639
26	H10     5.9949     1.3908    -0.6934	H	1	noname	0.1242
27	H11     6.0275     3.1399    -0.6934	H	1	noname	0.1242
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	2	4	1
4	2	5	2
5	3	6	1
6	3	7	1
7	4	8	1
8	4	9	2
9	5	10	1
10	6	11	1
11	6	8	2
12	7	12	2
13	9	13	1
14	10	14	1
15	10	13	2
16	11	15	2
17	12	16	1
18	12	15	1
19	5	17	1
20	7	18	1
21	8	19	1
22	9	20	1
23	11	21	1
24	13	22	1
25	14	23	1
26	14	24	1
27	15	25	1
28	16	26	1
29	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1