@<TRIPOS>MOLECULE
72942030
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1164    -2.2221    -0.9409	O.3	1	noname	-0.2153
2	O2     1.4231    -1.3051     3.0936	O.3	1	noname	-0.2153
3	O3     0.2045    -2.7596     1.8803	O.2	1	noname	-0.2514
4	O4    -0.1207    -1.9700    -1.0092	O.2	1	noname	-0.2514
5	N1    -1.1155     1.9644    -0.6384	N.3	1	noname	-0.3244
6	C1    -0.1603     0.1385     0.6744	C.3	1	noname	-0.0126
7	C2     0.9936    -0.8642     0.7385	C.3	1	noname	0.1321
8	C3    -0.0129     1.0063    -0.5771	C.3	1	noname	0.0235
9	C4     1.2296     1.7122    -0.5240	C.2	1	noname	-0.0842
10	C5     0.8529    -1.6922     1.9327	C.2	1	noname	0.1415
11	C6     0.9668    -1.7136    -0.4486	C.2	1	noname	0.1415
12	C7     1.5712     2.5324    -1.5137	C.2	1	noname	-0.0923
13	H1    -1.1074    -0.3996     0.6339	H	1	noname	0.0299
14	H2    -0.1403     0.7727     1.5607	H	1	noname	0.0299
15	H3     1.9406    -0.3261     0.7790	H	1	noname	0.0518
16	H4    -0.0329     0.3721    -1.4634	H	1	noname	0.0507
17	H5     1.8354     1.5904     0.2495	H	1	noname	0.0586
18	H6    -2.0035     1.4599    -0.6763	H	1	noname	0.1189
19	H7    -1.0968     2.5590     0.1927	H	1	noname	0.1189
20	H8     2.4314     3.0211    -1.4769	H	1	noname	0.0535
21	H9     0.9654     2.6542    -2.2871	H	1	noname	0.0535
22	H10     2.2028    -2.3980    -1.9011	H	1	noname	0.2213
23	H11     1.0152    -1.5578     3.9481	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	11	1
2	1	22	1
3	2	10	1
4	2	23	1
5	3	10	2
6	4	11	2
7	5	8	1
8	5	18	1
9	5	19	1
10	6	7	1
11	6	8	1
12	6	13	1
13	6	14	1
14	7	10	1
15	7	11	1
16	7	15	1
17	8	9	1
18	8	16	1
19	9	12	2
20	9	17	1
21	12	20	1
22	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1