@<TRIPOS>MOLECULE
87282675
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3360     1.3931     1.4212	O.3	1	noname	-0.3875
2	O2    -1.4023    -0.9248     0.2055	O.3	1	noname	-0.3881
3	O3     2.1727     0.5757     2.0937	O.3	1	noname	-0.3905
4	O4     1.6628    -0.3048    -3.4273	O.2	1	noname	-0.2988
5	N1    -1.1214    -1.1484    -2.6854	N.3	1	noname	-0.3195
6	C1     0.4131     0.6950     0.4317	C.3	1	noname	0.1075
7	C2    -0.6311     0.0183    -0.5273	C.3	1	noname	0.1043
8	C3     1.4481    -0.2166     1.1624	C.3	1	noname	0.0798
9	C4    -0.0494    -0.6894    -1.7912	C.3	1	noname	0.0895
10	C5     2.5294    -0.9015     0.2975	C.3	1	noname	-0.0363
11	C6     0.8705     0.1603    -2.5767	C.2	1	noname	0.1365
12	H1     0.9308     1.4772    -0.1135	H	1	noname	0.0655
13	H2    -1.3636     0.7692    -0.8506	H	1	noname	0.0649
14	H3     0.9275    -0.9743     1.7445	H	1	noname	0.0625
15	H4     0.5114    -1.5582    -1.4810	H	1	noname	0.0570
16	H5     2.2377    -1.8719    -0.0951	H	1	noname	0.0257
17	H6     2.8054    -0.2441    -0.5270	H	1	noname	0.0257
18	H7     3.3981    -1.0801     0.9312	H	1	noname	0.0257
19	H8    -0.9008     2.0669     0.9883	H	1	noname	0.2106
20	H9    -1.8739    -0.4668     0.9323	H	1	noname	0.2106
21	H10    -1.7198    -1.8108    -2.1878	H	1	noname	0.1191
22	H11    -1.6786    -0.3470    -2.9884	H	1	noname	0.1191
23	H12     0.8654     1.1706    -2.4204	H	1	noname	0.1059
24	H13     2.6388     1.2946     1.6181	H	1	noname	0.2105
@<TRIPOS>BOND
1	6	1	1
2	1	19	1
3	7	2	1
4	2	20	1
5	8	3	1
6	3	24	1
7	4	11	2
8	9	5	1
9	5	21	1
10	5	22	1
11	6	7	1
12	6	8	1
13	6	12	1
14	7	9	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	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1