@<TRIPOS>MOLECULE
109374095
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.6647     1.5958    -1.6684	O.3	1	noname	-0.2138
2	O2     0.9165     2.2745    -0.4212	O.2	1	noname	-0.2494
3	O3     4.0928    -1.9666    -0.1355	O.2	1	noname	-0.2972
4	O4    -3.5338     1.2500    -0.0739	O.3	1	noname	-0.2189
5	O5    -2.3705     0.0904     1.4671	O.2	1	noname	-0.2559
6	N1     2.2274    -0.7274    -0.0019	N.3	1	noname	-0.0723
7	C1     1.1806    -0.0478    -0.6579	C.3	1	noname	0.1004
8	C2    -0.0700    -0.0654     0.2233	C.3	1	noname	-0.0184
9	C3    -1.2059     0.6721    -0.4885	C.3	1	noname	0.0355
10	C4     1.5796     1.3340    -0.9091	C.2	1	noname	0.1440
11	C5     3.1648    -1.3641    -0.7171	C.2	1	noname	0.0392
12	C6    -2.3993     0.6553     0.3524	C.2	1	noname	0.1348
13	C7     3.1022    -1.3541    -2.1757	C.3	1	noname	0.0095
14	H1     0.9644    -0.5415    -1.6053	H	1	noname	0.0578
15	H2    -0.3679    -1.0970     0.4109	H	1	noname	0.0293
16	H3     0.1462     0.4284     1.1708	H	1	noname	0.0293
17	H4    -1.4221     0.1784    -1.4360	H	1	noname	0.0373
18	H5    -0.9080     1.7037    -0.6761	H	1	noname	0.0373
19	H6     2.2691    -0.7341     0.9672	H	1	noname	0.1318
20	H7     3.0228    -2.3773    -2.5430	H	1	noname	0.0324
21	H8     2.2310    -0.7837    -2.4981	H	1	noname	0.0324
22	H9     4.0059    -0.8938    -2.5751	H	1	noname	0.0324
23	H10     3.1939     2.4042    -1.5046	H	1	noname	0.2213
24	H11    -4.4052     0.9056     0.2131	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	10	1
2	1	23	1
3	2	10	2
4	3	11	2
5	4	12	1
6	4	24	1
7	5	12	2
8	7	6	1
9	6	11	1
10	6	19	1
11	7	8	1
12	7	10	1
13	7	14	1
14	8	9	1
15	8	15	1
16	8	16	1
17	9	12	1
18	9	17	1
19	9	18	1
20	11	13	1
21	13	20	1
22	13	21	1
23	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1