@<TRIPOS>MOLECULE
91810501
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2568     1.8670    -1.0664	O.3	1	noname	-0.1862
2	O2     2.0265    -0.5913     0.1680	O.2	1	noname	-0.2747
3	O3    -1.9804     0.2226    -1.3331	O.2	1	noname	-0.2434
4	N1    -0.2938     0.1190     0.4111	N.3	1	noname	0.1185
5	C1     1.1028     1.5030    -0.8481	C.3	1	noname	0.1397
6	C2     1.0860     0.2040    -0.0452	C.2	1	noname	0.1129
7	C3    -0.8191    -0.3686     1.6254	C.3	1	noname	0.0339
8	C4     1.7992     2.5962    -0.0351	C.3	1	noname	-0.0293
9	C5    -0.9768     0.6822    -0.7466	C.2	1	noname	0.0956
10	C6    -0.8944     0.6982     2.5747	C.2	1	noname	-0.0853
11	C7    -0.2236     0.6175     3.7203	C.2	1	noname	-0.0930
12	H1    -1.8166    -0.7730     1.4534	H	1	noname	0.0485
13	H2    -0.1703    -1.1543     2.0124	H	1	noname	0.0485
14	H3     2.8397     2.3176     0.1320	H	1	noname	0.0262
15	H4     1.2954     2.7119     0.9246	H	1	noname	0.0262
16	H5     1.7586     3.5378    -0.5826	H	1	noname	0.0262
17	H6    -1.4458     1.4968     2.3792	H	1	noname	0.0583
18	H7     0.3278    -0.1812     3.9159	H	1	noname	0.0535
19	H8    -0.2757     1.3560     4.3775	H	1	noname	0.0535
20	H9     1.6569     1.4028    -1.7814	H	1	noname	0.0705
@<TRIPOS>BOND
1	1	5	1
2	1	9	1
3	2	6	2
4	3	9	2
5	4	6	1
6	4	7	1
7	4	9	1
8	5	6	1
9	5	8	1
10	5	20	1
11	7	10	1
12	7	12	1
13	7	13	1
14	8	14	1
15	8	15	1
16	8	16	1
17	10	11	2
18	10	17	1
19	11	18	1
20	11	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1