@<TRIPOS>MOLECULE
119026178
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.5774    -3.0792    -1.4057	O.3	1	noname	-0.2774
2	O2    -4.5917    -1.1850    -1.4809	O.3	1	noname	-0.2772
3	N1     2.4457     2.2618    -0.7149	N.3	1	noname	-0.3273
4	C1     1.0591     1.8813    -0.3797	C.3	1	noname	0.0084
5	C2     0.0856     2.9064    -1.0227	C.3	1	noname	-0.0336
6	C3     0.8208     0.4074    -0.8198	C.3	1	noname	0.0146
7	C4    -1.4059     2.4683    -1.0330	C.3	1	noname	0.0065
8	C5    -0.5983     0.0072    -0.9939	C.2	1	noname	-0.0621
9	C6    -1.6433     1.0042    -1.0794	C.2	1	noname	-0.0614
10	C7    -0.9025    -1.3799    -1.1037	C.2	1	noname	-0.0270
11	C8    -3.0008     0.5976    -1.2256	C.2	1	noname	-0.0282
12	C9    -2.2686    -1.7708    -1.2826	C.2	1	noname	0.0129
13	C10    -3.3086    -0.7923    -1.3322	C.2	1	noname	0.0139
14	H1     0.9191     1.9332     0.7035	H	1	noname	0.0465
15	H2     0.1791     3.8654    -0.5130	H	1	noname	0.0286
16	H3     0.3816     2.9845    -2.0688	H	1	noname	0.0286
17	H4     1.3697     0.2099    -1.7405	H	1	noname	0.0332
18	H5     1.3031    -0.2811    -0.1260	H	1	noname	0.0332
19	H6    -1.9149     2.8917    -0.1670	H	1	noname	0.0316
20	H7    -1.9396     2.9439    -1.8558	H	1	noname	0.0316
21	H8    -0.1627    -2.0804    -1.0559	H	1	noname	0.0654
22	H9    -3.7462     1.2933    -1.2538	H	1	noname	0.0654
23	H10     2.6397     3.1970    -0.3512	H	1	noname	0.1186
24	H11     2.5636     2.2599    -1.7301	H	1	noname	0.1186
25	H12    -1.7585    -3.6147    -1.3507	H	1	noname	0.2183
26	H13    -5.1747    -0.3975    -1.4957	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	12	1
2	1	25	1
3	2	13	1
4	2	26	1
5	4	3	1
6	3	23	1
7	3	24	1
8	4	5	1
9	4	6	1
10	4	14	1
11	5	7	1
12	5	15	1
13	5	16	1
14	6	8	1
15	6	17	1
16	6	18	1
17	7	9	1
18	7	19	1
19	7	20	1
20	8	9	1
21	8	10	2
22	9	11	2
23	10	12	1
24	10	21	1
25	11	13	1
26	11	22	1
27	12	13	2
@<TRIPOS>SUBSTRUCTURE
1	noname	1