@<TRIPOS>MOLECULE
109374091
19 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.8390     2.1879    -0.7031	O.3	1	noname	-0.2911
2	O2     3.9253     1.1041     1.5464	O.3	1	noname	-0.2911
3	C1     3.5247    -2.1229    -1.3805	C.2	1	noname	-0.0464
4	C2     2.7613    -0.0775    -0.3657	C.2	1	noname	-0.0352
5	C3     3.8017    -0.8916    -0.7979	C.2	1	noname	-0.0320
6	C4     2.2073    -2.5400    -1.5309	C.2	1	noname	-0.0424
7	C5     1.4439    -0.4945    -0.5161	C.2	1	noname	-0.0354
8	C6     1.1669    -1.7258    -1.0987	C.2	1	noname	-0.0508
9	C7     4.6175    -2.9781    -1.8344	C.3	1	noname	-0.0016
10	B1     3.0741     1.3132     0.2923	B	1	noname	0.1132
11	H1     4.7684    -0.5856    -0.6875	H	1	noname	0.0621
12	H2     2.0041    -3.4435    -1.9584	H	1	noname	0.0625
13	H3     0.6804     0.1029    -0.1990	H	1	noname	0.0618
14	H4     0.2002    -2.0318    -1.2091	H	1	noname	0.0622
15	H5     5.2605    -3.2251    -0.9896	H	1	noname	0.0279
16	H6     4.2089    -3.8945    -2.2603	H	1	noname	0.0279
17	H7     5.1990    -2.4530    -2.5922	H	1	noname	0.0279
18	H8     4.1205     1.9722     1.9572	H	1	noname	0.1901
19	H9     4.0343     3.0560    -0.2923	H	1	noname	0.1901
@<TRIPOS>BOND
1	1	10	1
2	1	19	1
3	2	10	1
4	2	18	1
5	3	5	1
6	3	6	2
7	3	9	1
8	4	5	2
9	4	7	1
10	4	10	1
11	5	11	1
12	6	8	1
13	6	12	1
14	7	8	2
15	7	13	1
16	8	14	1
17	9	15	1
18	9	16	1
19	9	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1