@<TRIPOS>MOLECULE
DB01626
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.6432    -1.3516    -0.7936	N.3	1	noname	-0.2910
2	C1    -2.9975    -1.7934    -0.4648	C.3	1	noname	0.0600
3	C2    -0.8828    -1.1526     0.4392	C.3	1	noname	0.0240
4	C3    -1.7076    -0.0931    -1.5350	C.3	1	noname	-0.0120
5	C4    -3.7059    -1.9788    -1.6133	C.1	1	noname	-0.1005
6	C5     0.4696    -0.7114     0.1109	C.2	1	noname	-0.0487
7	C6    -4.3269    -2.1413    -2.6200	C.1	1	noname	-0.1091
8	C7     1.4779    -1.6479    -0.0851	C.2	1	noname	-0.0531
9	C8     0.7490     0.6453    -0.0057	C.2	1	noname	-0.0531
10	C9     2.7655    -1.2279    -0.3976	C.2	1	noname	-0.0595
11	C10     2.0367     1.0653    -0.3182	C.2	1	noname	-0.0595
12	C11     3.0449     0.1287    -0.5142	C.2	1	noname	-0.0613
13	H1    -2.9274    -2.7781    -0.0028	H	1	noname	0.0570
14	H2    -3.4989    -0.9799     0.0594	H	1	noname	0.0570
15	H3    -1.3599    -0.3317     0.9746	H	1	noname	0.0481
16	H4    -0.7883    -2.1300     0.9124	H	1	noname	0.0481
17	H5    -1.7502     0.7400    -0.8335	H	1	noname	0.0394
18	H6    -0.8215     0.0049    -2.1621	H	1	noname	0.0394
19	H7    -2.5991    -0.0861    -2.1621	H	1	noname	0.0394
20	H8    -4.4424    -3.2088    -2.8073	H	1	noname	0.1238
21	H9     1.2588    -2.7118     0.0064	H	1	noname	0.0626
22	H10    -0.0416     1.3797     0.1480	H	1	noname	0.0626
23	H11     3.5561    -1.9623    -0.5513	H	1	noname	0.0622
24	H12     2.2558     2.1291    -0.4097	H	1	noname	0.0622
25	H13     4.0546     0.4581    -0.7593	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	4	1
4	2	5	1
5	3	6	1
6	5	7	3
7	6	8	2
8	6	9	1
9	8	10	1
10	9	11	2
11	10	12	2
12	11	12	1
13	2	13	1
14	2	14	1
15	3	15	1
16	3	16	1
17	4	17	1
18	4	18	1
19	4	19	1
20	7	20	1
21	8	21	1
22	9	22	1
23	10	23	1
24	11	24	1
25	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1