@<TRIPOS>MOLECULE
71586949
19 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.5898     0.2342     0.1213	O.3	1	noname	-0.2189
2	O2     2.4162     1.9763    -1.2844	O.3	1	noname	-0.2140
3	O3     0.5734     2.1389     0.0002	O.2	1	noname	-0.2496
4	O4    -2.2172    -0.8633     1.5297	O.2	1	noname	-0.2559
5	N1     2.4897    -0.5998     0.0905	N.3	1	noname	-0.3194
6	C1     0.0652    -0.4104     0.3258	C.3	1	noname	-0.0190
7	C2     1.2852    -0.0388    -0.5193	C.3	1	noname	0.0918
8	C3    -1.1953     0.1766    -0.3124	C.3	1	noname	0.0354
9	C4     1.4058     1.4146    -0.5872	C.2	1	noname	0.1437
10	C5    -2.3595    -0.1780     0.4940	C.2	1	noname	0.1348
11	H1    -0.0248    -1.4955     0.3765	H	1	noname	0.0293
12	H2     0.1840    -0.0083     1.3319	H	1	noname	0.0293
13	H3     1.1664    -0.4409    -1.5255	H	1	noname	0.0571
14	H4    -1.3142    -0.2255    -1.3186	H	1	noname	0.0373
15	H5    -1.1053     1.2617    -0.3631	H	1	noname	0.0373
16	H6     2.4053    -1.6172     0.1381	H	1	noname	0.1191
17	H7     2.6012    -0.2227     1.0339	H	1	noname	0.1191
18	H8    -4.2766     0.4027     0.7998	H	1	noname	0.2213
19	H9     2.2930     2.8523    -1.7060	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	10	1
2	1	18	1
3	2	9	1
4	2	19	1
5	3	9	2
6	4	10	2
7	7	5	1
8	5	16	1
9	5	17	1
10	6	7	1
11	6	8	1
12	6	11	1
13	6	12	1
14	7	9	1
15	7	13	1
16	8	10	1
17	8	14	1
18	8	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1