@<TRIPOS>MOLECULE
DB07506
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.7151    -1.4856     0.3534	O.2	1	noname	-0.2545
2	C1    -2.5258    -1.6599     0.6965	C.2	1	noname	0.1368
3	O2    -2.1239    -2.8665     1.1497	O.3	1	noname	-0.2178
4	C2    -1.5256    -0.5059     0.6029	C.3	1	noname	0.0582
5	C3    -0.3857    -0.8943    -0.3409	C.3	1	noname	-0.0151
6	C4    -0.9843    -0.2223     1.9289	C.3	1	noname	0.0459
7	C5    -0.9270    -1.1779    -1.6668	C.2	1	noname	-0.0546
8	C6    -2.0721     0.1483     2.8295	C.2	1	noname	0.1352
9	C7    -1.3260    -2.4688    -1.9931	C.2	1	noname	-0.0570
10	C8    -1.0433    -0.1570    -2.6030	C.2	1	noname	-0.0570
11	O3    -1.8269     0.4328     4.0217	O.2	1	noname	-0.2557
12	O4    -3.3426     0.1836     2.3747	O.3	1	noname	-0.2187
13	C9    -1.8413    -2.7389    -3.2555	C.2	1	noname	-0.0605
14	C10    -1.5587    -0.4271    -3.8653	C.2	1	noname	-0.0605
15	C11    -1.9576    -1.7180    -4.1916	C.2	1	noname	-0.0616
16	H1    -2.1247    -2.8642     2.1097	H	1	noname	0.2213
17	H2    -2.0178     0.4038     0.2591	H	1	noname	0.0417
18	H3     0.2556    -0.0209    -0.4594	H	1	noname	0.0324
19	H4     0.0339    -1.8338     0.0189	H	1	noname	0.0324
20	H5    -0.5685    -1.1568     2.3055	H	1	noname	0.0381
21	H6    -0.3469     0.6560     1.8273	H	1	noname	0.0381
22	H7    -1.2347    -3.2694    -1.2590	H	1	noname	0.0625
23	H8    -0.7305     0.8553    -2.3471	H	1	noname	0.0625
24	H9    -3.9486     0.2005     3.1190	H	1	noname	0.2213
25	H10    -2.1542    -3.7512    -3.5113	H	1	noname	0.0622
26	H11    -1.6499     0.3735    -4.5994	H	1	noname	0.0622
27	H12    -2.3617    -1.9297    -5.1815	H	1	noname	0.0622
@<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	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	11	2
11	8	12	1
12	9	13	1
13	10	14	2
14	13	15	2
15	14	15	1
16	3	16	1
17	4	17	1
18	5	18	1
19	5	19	1
20	6	20	1
21	6	21	1
22	9	22	1
23	10	23	1
24	12	24	1
25	13	25	1
26	14	26	1
27	15	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1