@<TRIPOS>MOLECULE
DB01642
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.3113     0.1933    -0.2039	O.3	1	noname	-0.3413
2	C1     1.6827    -0.2985    -0.3486	C.3	1	noname	0.1860
3	C2    -0.3594     0.8700    -1.3157	C.3	1	noname	0.1124
4	O2     1.6619    -1.7012    -0.5683	O.3	1	noname	-0.3530
5	C3     2.5470     0.3862    -1.4475	C.3	1	noname	0.1333
6	C4     0.1974     0.5744    -2.7395	C.3	1	noname	0.1112
7	C5    -1.8558     0.5534    -1.2775	C.3	1	noname	0.0722
8	C6     1.0426    -2.3442     0.5360	C.3	1	noname	0.0389
9	O3     3.0126     1.6401    -0.9706	O.3	1	noname	-0.3849
10	C7     1.7575     0.5959    -2.7773	C.3	1	noname	0.1134
11	O4    -0.3115     1.5330    -3.6552	O.3	1	noname	-0.3874
12	O5    -2.4041     1.0056    -0.0481	O.3	1	noname	-0.3934
13	O6     2.2200    -0.3264    -3.7529	O.3	1	noname	-0.3873
14	H1     2.1230    -0.1096     0.6305	H	1	noname	0.0951
15	H2    -0.1415     1.9148    -1.0940	H	1	noname	0.0657
16	H3     3.4453    -0.2027    -1.6334	H	1	noname	0.0682
17	H4    -0.1751    -0.3867    -3.0938	H	1	noname	0.0657
18	H5    -2.3462     1.1458    -2.0500	H	1	noname	0.0591
19	H6    -1.9714    -0.5304    -1.2662	H	1	noname	0.0591
20	H7     1.1117    -3.4249     0.4127	H	1	noname	0.0530
21	H8     1.5465    -2.0505     1.4568	H	1	noname	0.0530
22	H9    -0.0059    -2.0505     0.5861	H	1	noname	0.0530
23	H10     3.0117     1.6377    -0.0106	H	1	noname	0.2108
24	H11     2.0246     1.5964    -3.1173	H	1	noname	0.0658
25	H12    -0.6998     2.2646    -3.1698	H	1	noname	0.2106
26	H13    -2.6450     0.2496     0.4922	H	1	noname	0.2101
27	H14     2.6030    -1.0901    -3.3151	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