@<TRIPOS>MOLECULE
76971794
19 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5313     2.4086    -0.0711	O.3	1	noname	-0.2855
2	O2     4.0117    -0.4257    -0.8012	O.3	1	noname	-0.2258
3	O3     3.8501    -0.0190     1.1448	O.2	1	noname	-0.2569
4	N1    -0.9497    -0.3141    -0.5860	N.3	1	noname	-0.1415
5	N2     3.6537     0.4333     0.0851	N.2	1	noname	-0.2116
6	C1    -0.0011     0.5982    -0.3436	C.2	1	noname	0.0050
7	C2     2.4068     0.9039     0.0346	C.2	1	noname	0.0009
8	C3     1.3101     0.0835    -0.3232	C.2	1	noname	-0.0124
9	C4    -0.2503     1.9532    -0.0208	C.2	1	noname	-0.0190
10	C5     2.1371     2.2503     0.4126	C.2	1	noname	-0.0339
11	C6     0.8289     2.7698     0.3730	C.2	1	noname	-0.0215
12	H1     1.4589    -0.9152    -0.5418	H	1	noname	0.0673
13	H2     2.9071     2.8531     0.7352	H	1	noname	0.0657
14	H3     0.6553     3.7434     0.6704	H	1	noname	0.0651
15	H4    -0.7052    -1.0970    -1.1272	H	1	noname	0.1243
16	H5    -1.8242    -0.2308    -0.1735	H	1	noname	0.1243
17	H6    -1.4623     3.3362     0.2258	H	1	noname	0.2182
18	H7     3.2322    -0.9633    -1.0228	H	1	noname	0.2597
19	H8     4.2207     1.1849    -0.0041	H	1	noname	0.2774
@<TRIPOS>BOND
1	1	9	1
2	1	17	1
3	2	5	1
4	2	18	1
5	3	5	2
6	4	6	1
7	4	15	1
8	4	16	1
9	5	7	1
10	5	19	1
11	6	8	1
12	6	9	2
13	7	8	2
14	7	10	1
15	8	12	1
16	9	11	1
17	10	11	2
18	10	13	1
19	11	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1