@<TRIPOS>MOLECULE
DB04360
19 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.5646     0.4223    -0.3821	S.3	1	noname	-0.1840
2	C1     0.7022    -0.4439     0.8809	C.2	1	noname	0.0313
3	C2     2.6093     1.4347     0.6187	C.2	1	noname	0.0421
4	C3     1.2852     0.0517     2.0843	C.2	1	noname	-0.0046
5	C4    -0.3261    -1.4292     0.8461	C.2	1	noname	-0.0189
6	C5     2.2817     1.0437     1.9303	C.2	1	noname	0.0157
7	B1     3.6532     2.5124     0.1563	B	1	noname	0.1428
8	C6     0.8378    -0.4506     3.3401	C.2	1	noname	-0.0401
9	C7    -0.7510    -1.9292     2.1146	C.2	1	noname	-0.0502
10	O1     2.9391     3.6041    -0.6431	O.3	1	noname	-0.2869
11	O2     4.7157     1.8491    -0.7225	O.3	1	noname	-0.2869
12	C8    -0.1873    -1.4455     3.3392	C.2	1	noname	-0.0549
13	H1    -0.7599    -1.7782    -0.0909	H	1	noname	0.0637
14	H2     2.7791     1.4907     2.7910	H	1	noname	0.0633
15	H3     1.2667    -0.0849     4.2730	H	1	noname	0.0629
16	H4    -1.5232    -2.6977     2.1489	H	1	noname	0.0623
17	H5     2.5309     4.2282    -0.0386	H	1	noname	0.1901
18	H6     5.3789     1.4352    -0.1653	H	1	noname	0.1901
19	H7    -0.5456    -1.8423     4.2891	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	1
8	4	6	1
9	5	9	2
10	7	10	1
11	7	11	1
12	8	12	2
13	9	12	1
14	5	13	1
15	6	14	1
16	8	15	1
17	9	16	1
18	10	17	1
19	11	18	1
20	12	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1