@<TRIPOS>MOLECULE
DB01979
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4979     0.4624     0.3201	O.3	1	noname	-0.3413
2	C1     1.7154     0.1026    -0.4092	C.3	1	noname	0.1860
3	C2     0.0888     1.8629     0.4432	C.3	1	noname	0.1124
4	O2     2.2981    -1.0497     0.1817	O.3	1	noname	-0.3530
5	C3     2.7927     1.2183    -0.5429	C.3	1	noname	0.1333
6	C4     0.6526     2.8425    -0.6278	C.3	1	noname	0.1112
7	C5    -1.4387     1.9486     0.4589	C.3	1	noname	0.0722
8	C6     1.3762    -2.1282     0.1250	C.3	1	noname	0.0389
9	O3     3.7351     0.8494    -1.5389	O.3	1	noname	-0.3849
10	C7     2.1700     2.6032    -0.9033	C.3	1	noname	0.1134
11	O4     0.4552     4.1807    -0.1959	O.3	1	noname	-0.3874
12	O5    -1.9429     1.2095     1.5616	O.3	1	noname	-0.3934
13	O6     2.4599     2.9143    -2.2582	O.3	1	noname	-0.3873
14	H1     1.3463    -0.1669    -1.3988	H	1	noname	0.0951
15	H2     0.5384     2.1347     1.3983	H	1	noname	0.0657
16	H3     3.3654     1.2937     0.3815	H	1	noname	0.0682
17	H4     0.0828     2.7525    -1.5526	H	1	noname	0.0657
18	H5    -1.7168     2.9847     0.6517	H	1	noname	0.0591
19	H6    -1.8146     1.4395    -0.4286	H	1	noname	0.0591
20	H7     1.1136    -2.4354     1.1373	H	1	noname	0.0530
21	H8     0.4771    -1.8103    -0.4029	H	1	noname	0.0530
22	H9     1.8302    -2.9668    -0.4029	H	1	noname	0.0530
23	H10     4.5387     0.5348    -1.1183	H	1	noname	0.2108
24	H11     2.6946     3.3271    -0.2798	H	1	noname	0.0658
25	H12     0.4509     4.2099     0.7637	H	1	noname	0.2106
26	H13    -1.8606     0.2701     1.3817	H	1	noname	0.2101
27	H14     2.5667     2.1013    -2.7574	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	1
11	6	10	1
12	7	12	1
13	10	13	1
14	2	14	1
15	3	15	1
16	5	16	1
17	6	17	1
18	7	18	1
19	7	19	1
20	8	20	1
21	8	21	1
22	8	22	1
23	9	23	1
24	10	24	1
25	11	25	1
26	12	26	1
27	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1