@<TRIPOS>MOLECULE
DB02125
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.8896    -1.2029     2.8696	O.2	1	noname	-0.2972
2	C1     1.1629    -0.6600     1.7773	C.2	1	noname	0.1370
3	C2     1.4305    -1.4442     0.4285	C.3	1	noname	0.0184
4	C3     1.2872     0.9017     1.5595	C.3	1	noname	0.0184
5	C4     0.3543    -0.9746    -0.6291	C.3	1	noname	-0.0406
6	C5     2.8729    -1.0731    -0.1171	C.3	1	noname	-0.0406
7	C6     0.2199     1.3397     0.4779	C.3	1	noname	-0.0406
8	C7     2.7361     1.2278     1.0049	C.3	1	noname	-0.0406
9	C8     0.4471     0.5848    -0.8930	C.3	1	noname	-0.0398
10	C9     3.0019     0.4833    -0.3693	C.3	1	noname	-0.0398
11	C10     1.9021     0.9253    -1.4185	C.3	1	noname	-0.0475
12	H1     1.3653    -2.5192     0.5966	H	1	noname	0.0383
13	H2     1.1169     1.4293     2.4979	H	1	noname	0.0383
14	H3     0.6147    -1.4622    -1.5685	H	1	noname	0.0276
15	H4    -0.6202    -1.1527    -0.1744	H	1	noname	0.0276
16	H5     3.5767    -1.3150     0.6794	H	1	noname	0.0276
17	H6     2.9676    -1.5516    -1.0919	H	1	noname	0.0276
18	H7    -0.7498     1.0117     0.8525	H	1	noname	0.0276
19	H8     0.3986     2.3966     0.2802	H	1	noname	0.0276
20	H9     2.7490     2.2953     0.7848	H	1	noname	0.0276
21	H10     3.4422     0.8109     1.7231	H	1	noname	0.0276
22	H11    -0.3011     0.8906    -1.6243	H	1	noname	0.0303
23	H12     3.9927     0.7284    -0.7520	H	1	noname	0.0303
24	H13     2.0604     0.3145    -2.3072	H	1	noname	0.0272
25	H14     1.9596     2.0117    -1.4865	H	1	noname	0.0272
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	9	5	1
9	10	6	1
10	7	9	1
11	8	10	1
12	9	11	1
13	10	11	1
14	3	12	1
15	4	13	1
16	5	14	1
17	5	15	1
18	6	16	1
19	6	17	1
20	7	18	1
21	7	19	1
22	8	20	1
23	8	21	1
24	9	22	1
25	10	23	1
26	11	24	1
27	11	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1