@<TRIPOS>MOLECULE
119025803
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.7068    -0.8419     0.4958	O.2	1	noname	-0.2993
2	O2     2.5439    -3.1031    -7.2652	O.3	1	noname	-0.2212
3	O3     3.8392    -1.4753    -6.4020	O.2	1	noname	-0.2624
4	N1     1.3810    -2.4782    -0.2774	N.3	1	noname	-0.0828
5	C1     2.8166    -1.3169    -1.7120	C.2	1	noname	0.0228
6	C2     2.3085    -1.5302    -0.4686	C.2	1	noname	0.0132
7	C3     2.3928    -2.0492    -2.7381	C.2	1	noname	-0.0234
8	C4     2.8897    -1.8406    -3.9541	C.2	1	noname	-0.0162
9	C5     0.4192    -2.3280     0.7427	C.3	1	noname	-0.0085
10	C6     2.4660    -2.5730    -4.9802	C.2	1	noname	0.0551
11	C7     2.9740    -2.3597    -6.2236	C.2	1	noname	0.0906
12	H1     3.5018    -0.6165    -1.8532	H	1	noname	0.0674
13	H2     1.7076    -2.7496    -2.5969	H	1	noname	0.0624
14	H3     1.3712    -3.2678    -0.8407	H	1	noname	0.1309
15	H4     3.5749    -1.1402    -4.0954	H	1	noname	0.0624
16	H5    -0.5785    -2.3261     0.3039	H	1	noname	0.0396
17	H6     0.5047    -3.1552     1.4473	H	1	noname	0.0396
18	H7     0.5881    -1.3866     1.2654	H	1	noname	0.0396
19	H8     1.7807    -3.2734    -4.8390	H	1	noname	0.0686
20	H9     2.5341    -2.7221    -8.1681	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	6	2
2	2	11	1
3	2	20	1
4	3	11	2
5	4	6	1
6	4	9	1
7	4	14	1
8	5	6	1
9	5	7	2
10	5	12	1
11	7	8	1
12	7	13	1
13	8	10	2
14	8	15	1
15	9	16	1
16	9	17	1
17	9	18	1
18	10	11	1
19	10	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1