@<TRIPOS>MOLECULE
DB00797
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -3.0340    -1.8409    -0.3513	N.2	1	noname	-0.2674
2	C1    -1.9993    -1.1183    -0.2793	C.2	1	noname	-0.0723
3	C2    -3.5696    -1.8541    -1.6066	C.3	1	noname	0.0534
4	N2    -1.7028    -0.5636    -1.4321	N.3	1	noname	-0.1303
5	C3    -1.2792    -0.9650     0.9510	C.3	1	noname	0.0248
6	C4    -2.6349    -0.9432    -2.4130	C.3	1	noname	0.0208
7	C5    -0.1166    -0.0911     0.8232	C.2	1	noname	-0.0519
8	C6     1.1393    -0.6696     0.4323	C.2	1	noname	-0.0553
9	C7    -0.2920     1.3210     1.0220	C.2	1	noname	-0.0553
10	C8     2.2591     0.1950     0.2436	C.2	1	noname	-0.0601
11	C9     0.8311     2.1812     0.8320	C.2	1	noname	-0.0601
12	C10     2.0773     1.5954     0.4547	C.2	1	noname	-0.0615
13	H1    -3.4806    -2.8801    -1.9637	H	1	noname	0.0528
14	H2    -4.5521    -1.3897    -1.5223	H	1	noname	0.0528
15	H3    -0.9038     0.0440    -1.5439	H	1	noname	0.1293
16	H4    -1.9658    -0.4652     1.6344	H	1	noname	0.0392
17	H5    -0.8942    -1.9556     1.1930	H	1	noname	0.0392
18	H6    -2.0983    -1.5330    -3.1561	H	1	noname	0.0451
19	H7    -3.1698    -0.0427    -2.7146	H	1	noname	0.0451
20	H8     1.2406    -1.7444     0.2818	H	1	noname	0.0625
21	H9    -1.2590     1.7322     1.3117	H	1	noname	0.0625
22	H10     3.2288    -0.2040    -0.0541	H	1	noname	0.0622
23	H11     0.7393     3.2583     0.9715	H	1	noname	0.0622
24	H12     2.9364     2.2528     0.3206	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	4	6	1
7	5	7	1
8	7	8	2
9	7	9	1
10	8	10	1
11	9	11	2
12	10	12	2
13	11	12	1
14	3	13	1
15	3	14	1
16	4	15	1
17	5	16	1
18	5	17	1
19	6	18	1
20	6	19	1
21	8	20	1
22	9	21	1
23	10	22	1
24	11	23	1
25	12	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1