@<TRIPOS>MOLECULE
DB01949
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.3296    -0.4338     0.1209	O.2	1	noname	-0.2910
2	C1     1.2405    -0.1521    -0.4240	C.2	1	noname	0.0451
3	N1     1.2260     0.4435    -1.6243	N.3	1	noname	-0.0770
4	C2    -0.0762    -0.4874     0.2795	C.3	1	noname	0.0838
5	C3     2.2815     1.2999    -1.9990	C.3	1	noname	-0.0088
6	N2    -0.8354     0.7416     0.5042	N.3	1	noname	-0.3199
7	C4    -0.8566    -1.3957    -0.5556	C.3	1	noname	-0.0145
8	C5    -2.1733    -1.7310     0.1479	C.3	1	noname	-0.0582
9	C6    -0.0621    -2.6820    -0.7908	C.3	1	noname	-0.0582
10	C7    -1.1524    -0.7261    -1.8991	C.3	1	noname	-0.0582
11	H1     0.4409     0.2520    -2.2301	H	1	noname	0.1306
12	H2     0.0875    -0.9688     1.2437	H	1	noname	0.0565
13	H3     2.7656     1.6927    -1.1049	H	1	noname	0.0396
14	H4     3.0082     0.7435    -2.5910	H	1	noname	0.0396
15	H5     1.8867     2.1257    -2.5910	H	1	noname	0.0396
16	H6    -0.3535     1.6258     0.5818	H	1	noname	0.1191
17	H7    -1.8418     0.7065     0.5818	H	1	noname	0.1191
18	H8    -2.0280    -1.6940     1.2276	H	1	noname	0.0236
19	H9    -2.9345    -1.0065    -0.1413	H	1	noname	0.0236
20	H10    -2.4953    -2.7314    -0.1413	H	1	noname	0.0236
21	H11     0.2096    -3.1218     0.1688	H	1	noname	0.0236
22	H12    -0.6721    -3.3879    -1.3543	H	1	noname	0.0236
23	H13     0.8422    -2.4525    -1.3543	H	1	noname	0.0236
24	H14    -1.3193    -1.4911    -2.6574	H	1	noname	0.0236
25	H15    -2.0435    -0.1051    -1.8072	H	1	noname	0.0236
26	H16    -0.3051    -0.1051    -2.1899	H	1	noname	0.0236
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	1
7	7	8	1
8	7	9	1
9	7	10	1
10	3	11	1
11	4	12	1
12	5	13	1
13	5	14	1
14	5	15	1
15	6	16	1
16	6	17	1
17	8	18	1
18	8	19	1
19	8	20	1
20	9	21	1
21	9	22	1
22	9	23	1
23	10	24	1
24	10	25	1
25	10	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1