@<TRIPOS>MOLECULE
DB02648
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.0431    -2.6490    -0.7788	O.2	1	noname	-0.2550
2	C1     1.8098    -2.4461    -0.7967	C.2	1	noname	0.1362
3	O2     0.9536    -3.4896    -0.7705	O.3	1	noname	-0.2182
4	C2     1.2953    -1.0807    -0.8460	C.3	1	noname	0.0658
5	C3    -0.2343    -1.1122    -0.8590	C.3	1	noname	0.1110
6	O3    -0.7046    -1.7531     0.3177	O.3	1	noname	-0.3857
7	C4    -0.7735     0.3187    -0.9106	C.3	1	noname	0.0168
8	N1    -2.2352     0.2886    -0.9231	N.4	1	noname	0.0081
9	C5    -2.7504     1.6559    -0.9724	C.3	1	noname	-0.0214
10	C6    -2.6974    -0.4491    -2.0976	C.3	1	noname	-0.0214
11	C7    -2.7193    -0.3712     0.2884	C.3	1	noname	-0.0214
12	H1     0.7618    -3.7233     0.1406	H	1	noname	0.2213
13	H2     1.6069    -0.6091     0.0860	H	1	noname	0.0402
14	H3     1.6242    -0.6707    -1.8009	H	1	noname	0.0402
15	H4    -0.6131    -1.7105    -1.6877	H	1	noname	0.0674
16	H5    -0.6590    -2.7052     0.2036	H	1	noname	0.2108
17	H6    -0.4913     0.8102     0.0204	H	1	noname	0.0967
18	H7    -0.4740     0.7486    -1.8664	H	1	noname	0.0967
19	H8    -2.8907     2.0281     0.0424	H	1	noname	0.0902
20	H9    -2.0395     2.2933    -1.4982	H	1	noname	0.0902
21	H10    -3.7051     1.6656    -1.4982	H	1	noname	0.0902
22	H11    -2.6224    -1.5197    -1.9070	H	1	noname	0.0902
23	H12    -3.7354    -0.1888    -2.3049	H	1	noname	0.0902
24	H13    -2.0791    -0.1888    -2.9567	H	1	noname	0.0902
25	H14    -2.6675    -1.4523     0.1588	H	1	noname	0.0902
26	H15    -2.0993    -0.0767     1.1351	H	1	noname	0.0902
27	H16    -3.7521    -0.0767     0.4746	H	1	noname	0.0902
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	5	7	1
7	7	8	1
8	8	9	1
9	8	10	1
10	8	11	1
11	3	12	1
12	4	13	1
13	4	14	1
14	5	15	1
15	6	16	1
16	7	17	1
17	7	18	1
18	9	19	1
19	9	20	1
20	9	21	1
21	10	22	1
22	10	23	1
23	10	24	1
24	11	25	1
25	11	26	1
26	11	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1