@<TRIPOS>MOLECULE
71346722
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0267    -0.4911     0.8852	O.3	1	noname	-0.3809
2	O2     6.1324     0.0822    -0.9023	O.2	1	noname	-0.2938
3	N1     4.0249     0.5802    -0.3163	N.3	1	noname	-0.0730
4	N2     5.0020     1.5220    -2.1991	N.3	1	noname	-0.0752
5	C1     1.7987     0.9638     0.4985	C.3	1	noname	-0.0026
6	C2     0.5137     1.7328     0.2164	C.3	1	noname	-0.0233
7	C3     1.3378    -0.4819     0.3368	C.3	1	noname	0.0508
8	C4     2.8359     1.2918    -0.5773	C.3	1	noname	0.0091
9	C5    -0.5586     0.6400     0.2477	C.3	1	noname	0.0471
10	C6     5.0784     0.7130    -1.1337	C.2	1	noname	-0.0410
11	C7     5.7525     1.2348    -3.3577	C.3	1	noname	-0.0076
12	H1     2.1226     1.1405     1.5241	H	1	noname	0.0340
13	H2     0.3315     2.4439     1.0221	H	1	noname	0.0294
14	H3     0.5056     2.2197    -0.7588	H	1	noname	0.0294
15	H4     1.2901    -0.7317    -0.7231	H	1	noname	0.0569
16	H5     2.0050    -1.1975     0.8174	H	1	noname	0.0569
17	H6     2.4484     1.0055    -1.5550	H	1	noname	0.0437
18	H7     3.0434     2.3618    -0.5678	H	1	noname	0.0437
19	H8    -1.4120     0.9849     0.8316	H	1	noname	0.0566
20	H9    -0.8103     0.3699    -0.7779	H	1	noname	0.0566
21	H10     4.0802    -0.0055     0.4550	H	1	noname	0.1323
22	H11     4.4303     2.3052    -2.1734	H	1	noname	0.1320
23	H12     5.0779     1.0963    -4.2026	H	1	noname	0.0397
24	H13     6.3294     0.3235    -3.2003	H	1	noname	0.0397
25	H14     6.4304     2.0626    -3.5660	H	1	noname	0.0397
@<TRIPOS>BOND
1	1	7	1
2	1	9	1
3	2	10	2
4	3	8	1
5	3	10	1
6	3	21	1
7	4	10	1
8	4	11	1
9	4	22	1
10	5	6	1
11	5	7	1
12	5	8	1
13	5	12	1
14	6	9	1
15	6	13	1
16	6	14	1
17	7	15	1
18	7	16	1
19	8	17	1
20	8	18	1
21	9	19	1
22	9	20	1
23	11	23	1
24	11	24	1
25	11	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1