@<TRIPOS>MOLECULE
90479125
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.2687     2.9861    -0.8111	O.3	1	noname	0.0000
2	O2     1.0259    -0.2245    -3.7789	O.3	1	noname	0.0000
3	O3     2.2980     1.3440    -2.7818	O.2	1	noname	0.0000
4	N1    -0.1686    -0.1695    -1.1185	N.3	1	noname	0.0000
5	C1     1.2656    -0.2124    -1.3566	C.3	1	noname	0.0000
6	C2    -0.4107     1.2694    -0.9678	C.3	1	noname	0.0000
7	C3     1.8401     0.7038    -0.2806	C.3	1	noname	0.0000
8	C4     0.7825     1.8089    -0.1832	C.3	1	noname	0.0000
9	C5    -0.4744    -0.8494     0.1391	C.3	1	noname	0.0000
10	C6    -0.9569    -0.7866    -2.1839	C.3	1	noname	0.0000
11	C7     1.5569     0.3430    -2.6750	C.2	1	noname	0.0000
12	H1     1.6746    -1.2221    -1.3209	H	1	noname	0.0000
13	H2    -1.3239     1.4259    -0.3937	H	1	noname	0.0000
14	H3    -0.4231     1.7313    -1.9550	H	1	noname	0.0000
15	H4     1.8912     0.1654     0.6657	H	1	noname	0.0000
16	H5     2.8363     1.0776    -0.5170	H	1	noname	0.0000
17	H6     0.5533     1.9897     0.8670	H	1	noname	0.0000
18	H7    -1.5492    -0.8173     0.3175	H	1	noname	0.0000
19	H8    -0.1468    -1.8874     0.0799	H	1	noname	0.0000
20	H9     0.0449    -0.3507     0.9575	H	1	noname	0.0000
21	H10    -2.0167    -0.7175    -1.9383	H	1	noname	0.0000
22	H11    -0.7672    -0.2676    -3.1235	H	1	noname	0.0000
23	H12    -0.6748    -1.8346    -2.2842	H	1	noname	0.0000
24	H13     2.0347     3.3325    -0.3074	H	1	noname	0.0000
25	H14     0.8310     0.3247    -4.5668	H	1	noname	0.0000
@<TRIPOS>BOND
1	8	1	1
2	1	24	1
3	2	11	1
4	2	25	1
5	3	11	2
6	4	5	1
7	4	6	1
8	4	9	1
9	4	10	1
10	5	7	1
11	5	11	1
12	5	12	1
13	6	8	1
14	6	13	1
15	6	14	1
16	7	8	1
17	7	15	1
18	7	16	1
19	8	17	1
20	9	18	1
21	9	19	1
22	9	20	1
23	10	21	1
24	10	22	1
25	10	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1