@<TRIPOS>MOLECULE
119026202
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4785     0.8426     4.0964	O.3	1	noname	-0.2823
2	O2     1.0902     2.2791    -2.0115	O.3	1	noname	-0.2184
3	O3     0.9261     0.0337    -2.0743	O.2	1	noname	-0.2588
4	N1    -0.4913    -0.9285    -0.1888	N.3	1	noname	-0.1134
5	N2    -1.8161    -0.9066     0.0243	N.3	1	noname	-0.2388
6	C1     0.0995    -0.0002     0.5759	C.2	1	noname	0.0333
7	C2     0.8310     1.0238    -0.0145	C.2	1	noname	-0.0230
8	C3    -0.0192    -0.0612     1.9595	C.2	1	noname	-0.0182
9	C4     1.4438     1.9867     0.7787	C.2	1	noname	0.0024
10	C5     0.5937     0.9018     2.7527	C.2	1	noname	0.0207
11	C6     1.3252     1.9257     2.1623	C.2	1	noname	-0.0436
12	C7     0.9496     1.0848    -1.3981	C.2	1	noname	0.0830
13	H1    -0.5559    -0.8126     2.3927	H	1	noname	0.0667
14	H2     1.9806     2.7381     0.3455	H	1	noname	0.0632
15	H3     1.7749     2.6324     2.7444	H	1	noname	0.0650
16	H4    -0.1418    -1.8045     0.0380	H	1	noname	0.1472
17	H5    -2.2667    -1.6146    -0.5589	H	1	noname	0.1377
18	H6    -2.1844     0.0163    -0.2147	H	1	noname	0.1377
19	H7    -0.0653     0.0657     4.3438	H	1	noname	0.2181
20	H8     1.5912     2.3426    -2.8514	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	10	1
2	1	19	1
3	2	12	1
4	2	20	1
5	3	12	2
6	4	5	1
7	4	6	1
8	4	16	1
9	5	17	1
10	5	18	1
11	6	7	2
12	6	8	1
13	7	9	1
14	7	12	1
15	8	10	2
16	8	13	1
17	9	11	2
18	9	14	1
19	10	11	1
20	11	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1