@<TRIPOS>MOLECULE
71587821
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.9068     0.9334     2.6373	O.2	1	noname	-0.2799
2	N1     1.3058     0.2268     0.2153	N.3	1	noname	-0.0685
3	N2     0.1387     0.5613     0.5981	N.3	1	noname	-0.0230
4	N3     3.3570    -0.4787     1.2454	N.3	1	noname	-0.1473
5	N4     1.7116     0.0686     3.7060	N.3	1	noname	-0.1301
6	C1     1.5144     0.2258    -1.1833	C.3	1	noname	0.0214
7	C2     0.0959     0.5953    -1.6824	C.3	1	noname	-0.0237
8	C3    -0.7972     0.8027    -0.4345	C.3	1	noname	0.0235
9	C4     2.0880    -0.0498     1.2812	C.2	1	noname	-0.1258
10	C5     0.0804     0.5989     1.9473	C.2	1	noname	0.0481
11	C6     1.3283     0.1944     2.4281	C.2	1	noname	-0.0335
12	H1     1.7643    -0.7827    -1.5127	H	1	noname	0.0451
13	H2     2.3093     0.9262    -1.4395	H	1	noname	0.0451
14	H3    -0.3027    -0.2228    -2.2825	H	1	noname	0.0294
15	H4     0.1567     1.5400    -2.2226	H	1	noname	0.0294
16	H5    -1.5712     0.0356    -0.4100	H	1	noname	0.0451
17	H6    -1.2306     1.7958    -0.3161	H	1	noname	0.0451
18	H7     3.6431    -0.5652     0.3226	H	1	noname	0.1253
19	H8     3.4194    -1.3409     1.6854	H	1	noname	0.1253
20	H9     0.9742     0.3064     4.2896	H	1	noname	0.1245
21	H10     1.9752    -0.8493     3.8756	H	1	noname	0.1245
@<TRIPOS>BOND
1	1	10	2
2	2	3	1
3	2	6	1
4	2	9	1
5	3	8	1
6	3	10	1
7	4	9	1
8	4	18	1
9	4	19	1
10	5	11	1
11	5	20	1
12	5	21	1
13	6	7	1
14	6	12	1
15	6	13	1
16	7	8	1
17	7	14	1
18	7	15	1
19	8	16	1
20	8	17	1
21	9	11	2
22	10	11	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1