@<TRIPOS>MOLECULE
90478700
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8902    -0.0851     1.0313	O.3	1	noname	-0.3886
2	O2    -0.1691    -2.3170    -0.5259	O.3	1	noname	-0.3905
3	O3     1.8943     2.7293    -1.7133	O.3	1	noname	-0.3838
4	O4     0.3613     1.7434    -3.8900	O.2	1	noname	-0.2948
5	N1    -0.3587     2.5027    -0.0037	N.3	1	noname	-0.3229
6	C1     0.5093     1.3623    -0.2924	C.3	1	noname	0.0662
7	C2    -0.3137     0.0730    -0.2568	C.3	1	noname	0.0977
8	C3     0.5948    -1.1204    -0.5589	C.3	1	noname	0.0788
9	C4     1.1305     1.5327    -1.6802	C.3	1	noname	0.1269
10	C5     1.7051    -1.1950     0.4911	C.3	1	noname	-0.0363
11	C6     0.0710     1.6038    -2.6822	C.2	1	noname	0.1443
12	H1     1.3003     1.3092     0.4557	H	1	noname	0.0522
13	H2    -1.1047     0.1261    -1.0048	H	1	noname	0.0645
14	H3     1.0373    -0.9991    -1.5477	H	1	noname	0.0625
15	H4     1.7777     0.6824    -1.8955	H	1	noname	0.0697
16	H5     2.2914    -0.2765     0.4657	H	1	noname	0.0257
17	H6     1.2626    -1.3163     1.4798	H	1	noname	0.0257
18	H7     2.3522    -2.0452     0.2758	H	1	noname	0.0257
19	H8    -0.7736     2.3889     0.9234	H	1	noname	0.1188
20	H9    -1.1004     2.5525    -0.7051	H	1	noname	0.1188
21	H10    -1.4173    -0.9109     1.0541	H	1	noname	0.2106
22	H11    -0.9061     1.5395    -2.3967	H	1	noname	0.1071
23	H12    -0.8803    -2.2693    -1.1984	H	1	noname	0.2105
24	H13     2.6055     2.6815    -1.0407	H	1	noname	0.2111
@<TRIPOS>BOND
1	7	1	1
2	1	21	1
3	8	2	1
4	2	23	1
5	9	3	1
6	3	24	1
7	4	11	2
8	6	5	1
9	5	19	1
10	5	20	1
11	6	7	1
12	6	9	1
13	6	12	1
14	7	8	1
15	7	13	1
16	8	10	1
17	8	14	1
18	9	11	1
19	9	15	1
20	10	16	1
21	10	17	1
22	10	18	1
23	11	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1