@<TRIPOS>MOLECULE
56843187
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.0554     2.1263    -0.8307	O.3	1	noname	-0.2030
2	O2    -2.0541    -1.6201    -0.4315	O.3	1	noname	-0.2662
3	O3    -2.1447     0.9889    -0.6326	O.2	1	noname	-0.2549
4	O4    -0.1217    -4.7687     1.2739	O.3	1	noname	-0.2172
5	O5    -1.5522    -4.1494    -0.3516	O.2	1	noname	-0.2569
6	C1     1.9700     1.2468     0.3471	C.3	1	noname	-0.0001
7	C2     0.9720     2.4179     0.1531	C.3	1	noname	0.0689
8	C3     1.2975    -0.0862     0.1869	C.2	1	noname	0.0307
9	C4    -0.0897    -0.2233    -0.1762	C.2	1	noname	0.0420
10	C5     1.7739     3.6460    -0.3055	C.3	1	noname	-0.0377
11	C6     2.0839    -1.2286     0.5110	C.2	1	noname	-0.0333
12	C7    -0.8969     0.9775    -0.5580	C.2	1	noname	0.1016
13	C8    -0.7467    -1.4943    -0.1192	C.2	1	noname	0.0960
14	C9     0.0275    -2.6198     0.2784	C.2	1	noname	0.0374
15	C10     1.4250    -2.4905     0.5744	C.2	1	noname	0.0251
16	C11    -0.5806    -3.8655     0.3817	C.2	1	noname	0.0955
17	H1     2.4174     1.3111     1.3389	H	1	noname	0.0343
18	H2     2.7867     1.2826    -0.3739	H	1	noname	0.0343
19	H3     0.5011     2.6466     1.1133	H	1	noname	0.0610
20	H4     2.5472     3.8701     0.4293	H	1	noname	0.0257
21	H5     1.1053     4.5014    -0.4018	H	1	noname	0.0257
22	H6     2.2382     3.4374    -1.2694	H	1	noname	0.0257
23	H7     3.0844    -1.1462     0.6915	H	1	noname	0.0626
24	H8     1.9586    -3.3195     0.8359	H	1	noname	0.0632
25	H9    -2.5429    -1.9685     0.3431	H	1	noname	0.2182
26	H10    -0.2047    -5.7273     1.0877	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	7	1
2	1	12	1
3	2	13	1
4	2	25	1
5	3	12	2
6	4	16	1
7	4	26	1
8	5	16	2
9	6	7	1
10	6	8	1
11	6	17	1
12	6	18	1
13	7	10	1
14	7	19	1
15	8	9	2
16	8	11	1
17	9	12	1
18	9	13	1
19	10	20	1
20	10	21	1
21	10	22	1
22	11	15	2
23	11	23	1
24	13	14	2
25	14	15	1
26	14	16	1
27	15	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1