@<TRIPOS>MOLECULE
112500437
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.1317    -1.5184     0.6843	O.3	1	noname	-0.3753
2	O2    -5.8037     0.5304     2.1632	O.3	1	noname	-0.2861
3	N1     0.1992    -1.6598    -2.1301	N.3	1	noname	-0.3168
4	C1    -0.8662    -0.6573    -0.1733	C.3	1	noname	0.0946
5	C2    -1.0921    -1.3492    -1.5191	C.3	1	noname	0.0255
6	C3    -2.1558    -0.3471     0.4370	C.2	1	noname	-0.0540
7	C4    -2.2053     0.2875     1.6727	C.2	1	noname	-0.0395
8	C5    -3.3341    -0.6864    -0.2178	C.2	1	noname	-0.0395
9	C6    -3.4330     0.5828     2.2536	C.2	1	noname	-0.0289
10	C7    -4.5618    -0.3911     0.3632	C.2	1	noname	-0.0289
11	C8    -4.6113     0.2435     1.5989	C.2	1	noname	-0.0012
12	C9    -0.0166    -2.3209    -3.4161	C.3	1	noname	-0.0163
13	C10    -0.8611    -2.7200     0.8862	C.3	1	noname	0.0365
14	H1    -0.3064     0.2650    -0.3283	H	1	noname	0.0668
15	H2    -1.6520    -2.2715    -1.3640	H	1	noname	0.0458
16	H3    -1.6559    -0.6882    -2.1773	H	1	noname	0.0458
17	H4    -1.3407     0.5364     2.1531	H	1	noname	0.0627
18	H5    -3.2978    -1.1521    -1.1245	H	1	noname	0.0627
19	H6     0.7242    -0.7950    -2.2755	H	1	noname	0.1220
20	H7    -3.4693     1.0485     3.1604	H	1	noname	0.0650
21	H8    -5.4265    -0.6400    -0.1172	H	1	noname	0.0650
22	H9     0.9462    -2.5525    -3.8717	H	1	noname	0.0391
23	H10    -0.5764    -3.2432    -3.2611	H	1	noname	0.0391
24	H11    -0.5804    -1.6599    -4.0744	H	1	noname	0.0391
25	H12    -0.2972    -3.3810     1.5445	H	1	noname	0.0529
26	H13    -1.8238    -2.4884     1.3418	H	1	noname	0.0529
27	H14    -1.0220    -3.2129    -0.0726	H	1	noname	0.0529
28	H15    -5.6591     0.9735     3.0252	H	1	noname	0.2181
@<TRIPOS>BOND
1	4	1	1
2	1	13	1
3	2	11	1
4	2	28	1
5	3	5	1
6	3	12	1
7	3	19	1
8	4	5	1
9	4	6	1
10	4	14	1
11	5	15	1
12	5	16	1
13	6	7	2
14	6	8	1
15	7	9	1
16	7	17	1
17	8	10	2
18	8	18	1
19	9	11	2
20	9	20	1
21	10	11	1
22	10	21	1
23	12	22	1
24	12	23	1
25	12	24	1
26	13	25	1
27	13	26	1
28	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1