@<TRIPOS>MOLECULE
119026005
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7862     3.8037    -0.1237	O.3	1	noname	-0.2219
2	O2     1.3123     0.5705     3.0749	O.3	1	noname	-0.2176
3	O3     1.9724     2.2010     3.9945	O.2	1	noname	-0.2462
4	N1    -1.0926     3.8413     2.1095	N.3	1	noname	-0.0158
5	N2     0.4536     2.4193     1.5055	N.2	1	noname	-0.1544
6	N3     1.0026     1.6443     3.6676	N.2	1	noname	-0.1708
7	C1    -1.8495     4.7447     0.1852	C.3	1	noname	0.0832
8	C2    -2.0817     4.7503     1.7253	C.3	1	noname	-0.0277
9	C3    -3.0749     4.3323    -0.6664	C.3	1	noname	-0.0274
10	C4    -0.4422     3.3216     1.0897	C.2	1	noname	0.0413
11	C5    -0.6706     3.3237     3.2683	C.2	1	noname	-0.0574
12	C6    -2.7089     4.3953    -2.1506	C.3	1	noname	-0.0628
13	C7     0.3158     2.4047     2.8595	C.2	1	noname	0.0894
14	H1    -1.5739     5.7725    -0.0968	H	1	noname	0.0626
15	H2    -3.0642     4.3331     1.9461	H	1	noname	0.0501
16	H3    -1.9326     5.7024     2.2346	H	1	noname	0.0501
17	H4    -3.9019     5.0137    -0.4669	H	1	noname	0.0291
18	H5    -3.3713     3.3157    -0.4081	H	1	noname	0.0291
19	H6    -0.9851     3.5406     4.2140	H	1	noname	0.0844
20	H7    -3.5716     4.1049    -2.7502	H	1	noname	0.0231
21	H8    -2.4124     5.4119    -2.4089	H	1	noname	0.0231
22	H9    -1.8818     3.7139    -2.3501	H	1	noname	0.0231
23	H10     1.8281    -0.0006     3.6818	H	1	noname	0.2598
24	H11     0.4875     1.4462     4.4224	H	1	noname	0.2795
@<TRIPOS>BOND
1	1	7	1
2	1	10	1
3	2	6	1
4	2	23	1
5	3	6	2
6	4	8	1
7	4	10	1
8	4	11	1
9	5	10	2
10	5	13	1
11	6	13	1
12	6	24	1
13	7	8	1
14	7	9	1
15	7	14	1
16	8	15	1
17	8	16	1
18	9	12	1
19	9	17	1
20	9	18	1
21	11	13	2
22	11	19	1
23	12	20	1
24	12	21	1
25	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1