@<TRIPOS>MOLECULE
71440863
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.2843     2.4910    -1.3613	O.3	1	noname	-0.2137
2	O2     1.4235     1.7279     0.7532	O.2	1	noname	-0.2492
3	O3     0.9595    -2.1251     2.5260	O.2	1	noname	-0.2571
4	O4    -1.4434    -2.1598     3.8705	O.3	1	noname	-0.1963
5	O5    -1.5517     0.0010     3.2448	O.2	1	noname	-0.2277
6	N1     0.1577    -0.5353     1.1611	N.3	1	noname	-0.0427
7	N2    -1.5443     2.1131    -0.7383	N.3	1	noname	-0.3183
8	C1    -0.5081     1.1256    -0.4406	C.3	1	noname	0.1043
9	C2    -0.8416     0.4170     0.8739	C.3	1	noname	0.0280
10	C3     0.7827     1.7965    -0.3179	C.2	1	noname	0.1443
11	C4     0.0736    -1.2808     2.2714	C.2	1	noname	0.1091
12	C5    -0.9989    -1.1152     3.1400	C.2	1	noname	0.1569
13	H1    -0.4618     0.3932    -1.2465	H	1	noname	0.0585
14	H2    -1.8053    -0.0839     0.7823	H	1	noname	0.0454
15	H3    -0.8879     1.1494     1.6798	H	1	noname	0.0454
16	H4     0.9061    -0.6509     0.5549	H	1	noname	0.1316
17	H5    -2.4479     1.6434    -0.8242	H	1	noname	0.1192
18	H6    -1.5877     2.7998     0.0174	H	1	noname	0.1192
19	H7     1.8639     3.2650    -1.2015	H	1	noname	0.2213
20	H8    -2.3883    -2.2132     4.1247	H	1	noname	0.2218
@<TRIPOS>BOND
1	1	10	1
2	1	19	1
3	2	10	2
4	3	11	2
5	4	12	1
6	4	20	1
7	5	12	2
8	6	9	1
9	6	11	1
10	6	16	1
11	8	7	1
12	7	17	1
13	7	18	1
14	8	9	1
15	8	10	1
16	8	13	1
17	9	14	1
18	9	15	1
19	11	12	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1