@<TRIPOS>MOLECULE
76959844
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8555    -1.4753    -0.0709	O.3	1	noname	-0.2387
2	N1    -0.7400    -3.3728    -0.0034	N.2	1	noname	-0.2223
3	N2    -2.9361    -3.4752    -0.5579	N.3	1	noname	-0.1000
4	C1    -0.4621    -1.1523    -0.1872	C.3	1	noname	0.1116
5	C2     0.2161    -2.4382     0.2938	C.3	1	noname	0.0740
6	C3    -0.0548     0.1479     0.4444	C.2	1	noname	-0.0413
7	C4     0.0238     1.3247    -0.3781	C.2	1	noname	-0.0483
8	C5     0.2962     0.2460     1.8473	C.2	1	noname	-0.0483
9	C6    -1.8616    -2.8070    -0.2187	C.2	1	noname	-0.0540
10	C7     0.5215     2.5566     0.1460	C.2	1	noname	-0.0582
11	C8     0.7958     1.4703     2.3767	C.2	1	noname	-0.0582
12	C9     0.9204     2.6117     1.5132	C.2	1	noname	-0.0610
13	H1    -0.2352    -1.1170    -1.2642	H	1	noname	0.0681
14	H2     0.3565    -2.3928     1.3738	H	1	noname	0.0547
15	H3     1.1798    -2.6299    -0.1780	H	1	noname	0.0547
16	H4    -0.2805     1.2790    -1.3506	H	1	noname	0.0626
17	H5     0.1851    -0.5641     2.4571	H	1	noname	0.0626
18	H6     0.5902     3.3829    -0.4481	H	1	noname	0.0622
19	H7     1.0625     1.5360     3.3590	H	1	noname	0.0622
20	H8     1.3026     3.4805     1.8868	H	1	noname	0.0622
21	H9    -3.6767    -2.8595    -0.6735	H	1	noname	0.1278
22	H10    -3.1527    -4.1145     0.1387	H	1	noname	0.1278
@<TRIPOS>BOND
1	1	4	1
2	1	9	1
3	2	5	1
4	2	9	2
5	3	9	1
6	3	21	1
7	3	22	1
8	4	5	1
9	4	6	1
10	4	13	1
11	5	14	1
12	5	15	1
13	6	7	2
14	6	8	1
15	7	10	1
16	7	16	1
17	8	11	2
18	8	17	1
19	10	12	2
20	10	18	1
21	11	12	1
22	11	19	1
23	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1