@<TRIPOS>MOLECULE
56844155
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2124    -1.7271    -0.4251	O.3	1	noname	-0.2003
2	O2     1.0140     4.2621    -1.9646	O.3	1	noname	-0.2743
3	O3    -0.6943    -1.7026    -2.6251	O.2	1	noname	-0.2581
4	O4    -1.4867    -4.3715     1.6906	O.3	1	noname	-0.2112
5	O5     0.1287    -2.8136     1.8800	O.2	1	noname	-0.2461
6	C1     0.0254     0.2610    -1.6987	C.2	1	noname	-0.0154
7	C2     0.9897     0.7964    -0.8528	C.2	1	noname	0.0055
8	C3    -0.6062     1.0723    -2.6341	C.2	1	noname	0.0055
9	C4     0.6908     2.9543    -1.8777	C.2	1	noname	0.0242
10	C5     1.3224     2.1430    -0.9423	C.2	1	noname	-0.0122
11	C6    -0.2735     2.4189    -2.7236	C.2	1	noname	-0.0122
12	C7    -0.3073    -1.0856    -1.6092	C.2	1	noname	0.0866
13	C8    -1.0817    -2.8114    -0.1334	C.3	1	noname	0.1423
14	C9     0.1775     5.0150    -1.0986	C.3	1	noname	0.0423
15	C10    -0.7814    -3.3314     1.1974	C.2	1	noname	0.1487
16	H1     1.4532     0.2011    -0.1663	H	1	noname	0.0632
17	H2    -1.3138     0.6794    -3.2549	H	1	noname	0.0632
18	H3     2.0300     2.5359    -0.3215	H	1	noname	0.0650
19	H4    -0.7370     3.0142    -3.4101	H	1	noname	0.0650
20	H5    -2.1153    -2.4669    -0.1642	H	1	noname	0.0683
21	H6    -0.9394    -3.6000    -0.8723	H	1	noname	0.0683
22	H7     0.4384     6.0709    -1.1688	H	1	noname	0.0535
23	H8    -0.8640     4.8779    -1.3897	H	1	noname	0.0535
24	H9     0.3159     4.6739    -0.0727	H	1	noname	0.0535
25	H10    -1.0661    -4.9946     2.3194	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	12	1
2	1	13	1
3	2	9	1
4	2	14	1
5	3	12	2
6	4	15	1
7	4	25	1
8	5	15	2
9	6	7	2
10	6	8	1
11	6	12	1
12	7	10	1
13	7	16	1
14	8	11	2
15	8	17	1
16	9	10	2
17	9	11	1
18	10	18	1
19	11	19	1
20	13	15	1
21	13	20	1
22	13	21	1
23	14	22	1
24	14	23	1
25	14	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1