@<TRIPOS>MOLECULE
DB02326
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.3637    -1.1903     0.0200	O.2	1	noname	-0.2517
2	C1     1.0289    -0.1565    -0.5978	C.2	1	noname	0.1409
3	O2     1.9636     0.5843    -1.2304	O.3	1	noname	-0.2156
4	C2    -0.4401     0.2694    -0.6370	C.3	1	noname	0.1206
5	C3    -0.5785     1.5953    -0.0416	C.2	1	noname	0.0891
6	C4    -0.8988     0.3078    -2.0225	C.3	1	noname	-0.0302
7	O3    -1.3068     1.7571     0.9613	O.2	1	noname	-0.2781
8	N1     0.0753     2.6387    -0.5702	N.3	1	noname	0.0154
9	C5    -0.7538    -1.0816    -2.6465	C.3	1	noname	-0.0458
10	O4    -0.0479     3.8193    -0.0401	O.3	1	noname	-0.3189
11	C6    -1.2345    -1.0414    -4.0985	C.3	1	noname	-0.0627
12	C7    -1.5970    -2.0855    -1.8577	C.3	1	noname	-0.0627
13	H1     2.5175     1.0233    -0.5807	H	1	noname	0.2213
14	H2    -1.0801    -0.4195    -0.0858	H	1	noname	0.0506
15	H3    -1.9629     0.5400    -1.9797	H	1	noname	0.0282
16	H4    -0.2157     0.9767    -2.5460	H	1	noname	0.0282
17	H5     0.6696     2.5338    -1.3801	H	1	noname	0.1641
18	H6     0.2928    -1.3850    -2.6185	H	1	noname	0.0297
19	H7    -0.0400     3.7427     0.9168	H	1	noname	0.2380
20	H8    -1.3571    -2.0591    -4.4689	H	1	noname	0.0233
21	H9    -2.1893    -0.5182    -4.1507	H	1	noname	0.0233
22	H10    -0.4995    -0.5182    -4.7101	H	1	noname	0.0233
23	H11    -1.4565    -1.9182    -0.7898	H	1	noname	0.0233
24	H12    -2.6491    -1.9542    -2.1107	H	1	noname	0.0233
25	H13    -1.2862    -3.0991    -2.1107	H	1	noname	0.0233
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	1
9	8	10	1
10	9	11	1
11	9	12	1
12	3	13	1
13	4	14	1
14	6	15	1
15	6	16	1
16	8	17	1
17	9	18	1
18	10	19	1
19	11	20	1
20	11	21	1
21	11	22	1
22	12	23	1
23	12	24	1
24	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1