@<TRIPOS>MOLECULE
71306754
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4261     3.2766    -1.4566	O.3	1	noname	-0.2140
2	O2     1.2043     1.1973    -1.8353	O.2	1	noname	-0.2496
3	N1    -1.7384     1.6771    -0.3217	N.3	1	noname	-0.3194
4	N2     3.0534    -2.1023     0.6999	N.3	1	noname	-0.3304
5	C1    -0.0839    -0.0811     0.0541	C.3	1	noname	-0.0271
6	C2     1.3989    -0.3441     0.3242	C.3	1	noname	-0.0389
7	C3    -0.3215     1.4258    -0.0636	C.3	1	noname	0.0913
8	C4     1.6364    -1.8510     0.4419	C.3	1	noname	-0.0076
9	C5     0.4758     1.9596    -1.1640	C.2	1	noname	0.1437
10	H1    -0.6792    -0.4797     0.8757	H	1	noname	0.0288
11	H2    -0.3759    -0.5687    -0.8760	H	1	noname	0.0288
12	H3     1.6909     0.1435     1.2543	H	1	noname	0.0280
13	H4     1.9941     0.0545    -0.4974	H	1	noname	0.0280
14	H5    -0.0295     1.9133     0.8665	H	1	noname	0.0571
15	H6     1.0412    -2.2495     1.2634	H	1	noname	0.0425
16	H7     1.3445    -2.3385    -0.4882	H	1	noname	0.0425
17	H8    -2.2965     1.3034     0.4487	H	1	noname	0.1191
18	H9    -2.0122     1.2199    -1.1937	H	1	noname	0.1191
19	H10     3.2120    -3.1088     0.7786	H	1	noname	0.1184
20	H11     3.3271    -1.6451     1.5720	H	1	noname	0.1184
21	H12     1.2086     3.7225    -1.8430	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	9	1
2	1	21	1
3	2	9	2
4	7	3	1
5	3	17	1
6	3	18	1
7	4	8	1
8	4	19	1
9	4	20	1
10	5	6	1
11	5	7	1
12	5	10	1
13	5	11	1
14	6	8	1
15	6	12	1
16	6	13	1
17	7	9	1
18	7	14	1
19	8	15	1
20	8	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1