@<TRIPOS>MOLECULE
71587185
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.2584     3.6998    -0.5859	O.3	1	noname	-0.2760
2	N1     0.4168    -0.0835    -2.7621	N.3	1	noname	-0.1592
3	N2     0.5150     3.3397     1.4904	N.3	1	noname	-0.1494
4	C1    -0.4434     0.5771    -0.6611	C.2	1	noname	-0.0805
5	C2     0.4409     0.7566    -1.7184	C.2	1	noname	-0.0643
6	C3     0.4909     2.4995     0.4468	C.2	1	noname	-0.0429
7	C4    -0.4184     1.4486     0.4215	C.2	1	noname	-0.0683
8	C5     1.3752     2.6791    -0.6105	C.2	1	noname	-0.0272
9	C6     1.3502     1.8076    -1.6931	C.2	1	noname	-0.0462
10	C7    -1.3985    -0.5268    -0.6877	C.3	1	noname	-0.0008
11	C8     3.4608     3.2705     0.0357	C.3	1	noname	0.0424
12	H1    -1.0673     1.3168     1.1973	H	1	noname	0.0643
13	H2     1.9992     1.9393    -2.4689	H	1	noname	0.0667
14	H3    -2.4131    -0.1306    -0.6452	H	1	noname	0.0280
15	H4    -1.2262    -1.1771     0.1699	H	1	noname	0.0280
16	H5    -1.2694    -1.0969    -1.6077	H	1	noname	0.0280
17	H6     1.0923     0.1812    -3.4059	H	1	noname	0.1242
18	H7    -0.4578    -0.0543    -3.1805	H	1	noname	0.1242
19	H8    -0.1605     3.0750     2.1343	H	1	noname	0.1243
20	H9     0.3334     4.2418     1.1836	H	1	noname	0.1243
21	H10     4.1738     4.0947     0.0556	H	1	noname	0.0535
22	H11     3.2480     2.9495     1.0554	H	1	noname	0.0535
23	H12     3.8834     2.4379    -0.5266	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	8	1
2	1	11	1
3	2	5	1
4	2	17	1
5	2	18	1
6	3	6	1
7	3	19	1
8	3	20	1
9	4	5	1
10	4	7	2
11	4	10	1
12	5	9	2
13	6	7	1
14	6	8	2
15	7	12	1
16	8	9	1
17	9	13	1
18	10	14	1
19	10	15	1
20	10	16	1
21	11	21	1
22	11	22	1
23	11	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1