@<TRIPOS>MOLECULE
DB03144
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.9890    -3.5023     0.9539	O.2	1	noname	-0.2496
2	C1     3.6713    -2.9005    -0.0946	C.2	1	noname	0.1437
3	O2     3.6099    -3.5703    -1.2651	O.3	1	noname	-0.2140
4	C2     3.3665    -1.4733    -0.0534	C.3	1	noname	0.0913
5	N1     4.2946    -0.7515    -0.9224	N.3	1	noname	-0.3194
6	C3     1.9328    -1.2438    -0.5358	C.3	1	noname	-0.0271
7	C4     1.6135     0.2519    -0.4926	C.3	1	noname	-0.0382
8	C5     0.1798     0.4814    -0.9751	C.3	1	noname	0.0025
9	N2    -0.1145     1.8598    -0.9353	N.3	1	noname	-0.1132
10	C6    -1.3421     2.0563    -1.3484	C.2	1	noname	-0.1021
11	N3    -1.8181     3.2383    -1.3932	N.2	1	noname	-0.2601
12	N4    -2.0805     1.0384    -1.7154	N.3	1	noname	-0.0274
13	O3    -3.3309     1.3018    -1.4765	O.3	1	noname	-0.3253
14	H1     3.6189    -4.5149    -1.0942	H	1	noname	0.2213
15	H2     3.5139    -1.1240     0.9686	H	1	noname	0.0571
16	H3     5.1521    -1.1926    -1.2226	H	1	noname	0.1191
17	H4     4.0782     0.1883    -1.2226	H	1	noname	0.1191
18	H5     1.9020    -1.5419    -1.5838	H	1	noname	0.0288
19	H6     1.2762    -1.7268     0.1878	H	1	noname	0.0288
20	H7     1.6443     0.5501     0.5553	H	1	noname	0.0280
21	H8     2.2701     0.7349    -1.2163	H	1	noname	0.0280
22	H9     0.1275     0.2056    -2.0283	H	1	noname	0.0432
23	H10    -0.4983     0.0208    -0.2567	H	1	noname	0.0432
24	H11     0.4849     2.6189    -0.6444	H	1	noname	0.1306
25	H12    -1.9563     3.5814    -0.4534	H	1	noname	0.1899
26	H13    -1.7373     0.1797    -2.1215	H	1	noname	0.1637
27	H14    -3.4760     1.3323    -0.5280	H	1	noname	0.2380
@<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	8	9	1
9	9	10	1
10	10	11	2
11	10	12	1
12	12	13	1
13	3	14	1
14	4	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	7	20	1
20	7	21	1
21	8	22	1
22	8	23	1
23	9	24	1
24	11	25	1
25	12	26	1
26	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1