@<TRIPOS>MOLECULE
DB07060
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.8679    -3.5659     0.6936	O.2	1	noname	-0.2451
2	C1     4.0189    -2.4230     0.2103	C.2	1	noname	0.1501
3	O2     5.0487    -2.1745    -0.6265	O.3	1	noname	-0.2105
4	C2     3.0814    -1.3568     0.5509	C.3	1	noname	0.1434
5	O3     3.7825    -0.2920     1.1764	O.3	1	noname	-0.3822
6	C3     2.4070    -0.8444    -0.7232	C.3	1	noname	0.0099
7	C4     1.4696     0.2219    -0.3826	C.2	1	noname	-0.0311
8	C5     0.1206     0.0885    -0.0600	C.2	1	noname	-0.0320
9	C6     1.7358     1.5930    -0.3112	C.2	1	noname	-0.1054
10	C7    -0.3775     1.3705     0.2246	C.2	1	noname	-0.0885
11	C8    -0.7243    -1.0635    -0.1128	C.2	1	noname	-0.0399
12	N1     0.6211     2.2579     0.0668	N.3	1	noname	-0.0759
13	C9    -1.7640     1.6012     0.5034	C.2	1	noname	-0.0440
14	C10    -2.1160    -0.8394     0.1123	C.2	1	noname	-0.0540
15	C11    -2.6240     0.4654     0.4203	C.2	1	noname	-0.0512
16	H1     5.8382    -1.9841    -0.1146	H	1	noname	0.2214
17	H2     2.3679    -1.7349     1.2831	H	1	noname	0.0713
18	H3     3.7213    -0.3850     2.1299	H	1	noname	0.2112
19	H4     3.1771    -0.3808    -1.3398	H	1	noname	0.0349
20	H5     1.8028    -1.6574    -1.1257	H	1	noname	0.0349
21	H6     2.6878     2.0800    -0.5225	H	1	noname	0.0792
22	H7    -0.3287    -2.0591    -0.3138	H	1	noname	0.0629
23	H8     0.5464     3.2552     0.2083	H	1	noname	0.1522
24	H9    -2.1444     2.5886     0.7649	H	1	noname	0.0642
25	H10    -2.8049    -1.6817     0.0477	H	1	noname	0.0622
26	H11    -3.6917     0.5973     0.5959	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	7	9	2
9	8	10	2
10	8	11	1
11	9	12	1
12	10	13	1
13	10	12	1
14	11	14	2
15	13	15	2
16	14	15	1
17	3	16	1
18	4	17	1
19	5	18	1
20	6	19	1
21	6	20	1
22	9	21	1
23	11	22	1
24	12	23	1
25	13	24	1
26	14	25	1
27	15	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1