@<TRIPOS>MOLECULE
DB02438
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8601     0.3129     1.3308	O.2	1	noname	-0.2784
2	C1     1.3992     0.2005     0.1743	C.2	1	noname	0.1737
3	C2     0.0916    -0.4146    -0.0339	C.3	1	noname	0.1461
4	C3     2.1686     0.6842    -0.9683	C.3	1	noname	0.1045
5	O2    -0.7758     0.5182    -0.6613	O.3	1	noname	-0.3706
6	C4     0.2445    -1.6485    -0.9256	C.3	1	noname	0.1155
7	O3     3.4114    -0.0003    -1.0262	O.3	1	noname	-0.3884
8	C5    -0.9178     1.6634     0.1663	C.3	1	noname	0.0367
9	O4     0.7909    -1.2625    -2.1781	O.3	1	noname	-0.3870
10	C6    -1.1258    -2.2931    -1.1437	C.3	1	noname	0.1060
11	O5    -0.9839    -3.4382    -1.9713	O.3	1	noname	-0.3878
12	C7    -2.0604    -1.2879    -1.8198	C.3	1	noname	0.0718
13	O6    -3.3322    -1.8862    -2.0222	O.3	1	noname	-0.3934
14	H1    -0.3474    -0.6471     0.9364	H	1	noname	0.0715
15	H2     1.6222     0.4028    -1.8685	H	1	noname	0.0647
16	H3     2.4048     1.7314    -0.7791	H	1	noname	0.0647
17	H4     0.9559    -2.3586    -0.5039	H	1	noname	0.0660
18	H5     3.7237    -0.1724    -0.1349	H	1	noname	0.2106
19	H6    -0.8804     1.3620     1.2131	H	1	noname	0.0529
20	H7    -0.1077     2.3631    -0.0395	H	1	noname	0.0529
21	H8    -1.8741     2.1441    -0.0395	H	1	noname	0.0529
22	H9     1.0123    -2.0465    -2.6859	H	1	noname	0.2107
23	H10    -1.5464    -2.6605    -0.2077	H	1	noname	0.0653
24	H11    -0.8870    -4.2198    -1.4223	H	1	noname	0.2106
25	H12    -2.2328    -0.4665    -1.1243	H	1	noname	0.0591
26	H13    -1.6725    -1.0846    -2.8179	H	1	noname	0.0591
27	H14    -3.7356    -2.0759    -1.1720	H	1	noname	0.2101
@<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	5	8	1
8	6	9	1
9	6	10	1
10	10	11	1
11	10	12	1
12	12	13	1
13	3	14	1
14	4	15	1
15	4	16	1
16	6	17	1
17	7	18	1
18	8	19	1
19	8	20	1
20	8	21	1
21	9	22	1
22	10	23	1
23	11	24	1
24	12	25	1
25	12	26	1
26	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1