@<TRIPOS>MOLECULE
DB02419
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6432     3.6917     0.9040	O.2	1	noname	-0.2260
2	C1     1.3864     2.4707     0.9807	C.2	1	noname	0.1618
3	O2     0.7625     1.9795     2.0724	O.3	1	noname	-0.1848
4	C2     1.7431     1.6189    -0.0581	C.2	1	noname	0.1136
5	C3     0.9479     2.6007     3.3358	C.3	1	noname	0.0541
6	O3     2.7447     1.8753    -0.7608	O.2	1	noname	-0.2555
7	N1     1.0135     0.5227    -0.3064	N.3	1	noname	-0.0340
8	C4     0.1359     1.8534     4.3956	C.3	1	noname	-0.0409
9	C5    -0.4486     0.5407     0.0055	C.3	1	noname	0.0063
10	C6     1.6874    -0.6792    -0.8863	C.3	1	noname	0.0063
11	C7    -1.3346    -0.6995    -0.2627	C.3	1	noname	-0.0398
12	C8     0.8889    -1.9695    -1.1911	C.3	1	noname	-0.0398
13	C9    -0.6254    -1.9391    -0.8638	C.3	1	noname	-0.0508
14	H1     2.0051     2.4748     3.5695	H	1	noname	0.0570
15	H2     0.5280     3.6013     3.2323	H	1	noname	0.0570
16	H3     0.4669     2.1580     5.3885	H	1	noname	0.0254
17	H4    -0.9215     2.0897     4.2767	H	1	noname	0.0254
18	H5     0.2840     0.7801     4.2767	H	1	noname	0.0254
19	H6    -0.4762     0.6798     1.0862	H	1	noname	0.0435
20	H7    -0.8395     1.3157    -0.6539	H	1	noname	0.0435
21	H8     2.0405    -0.3292    -1.8563	H	1	noname	0.0435
22	H9     2.4039    -0.9651    -0.1162	H	1	noname	0.0435
23	H10    -1.6865    -1.0177     0.7186	H	1	noname	0.0280
24	H11    -2.0498    -0.3818    -1.0215	H	1	noname	0.0280
25	H12     0.9466    -2.0932    -2.2725	H	1	noname	0.0280
26	H13     1.3099    -2.7291    -0.5324	H	1	noname	0.0280
27	H14    -0.7405    -2.7029    -0.0947	H	1	noname	0.0267
28	H15    -1.1038    -2.0670    -1.8348	H	1	noname	0.0267
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	7	9	1
9	7	10	1
10	9	11	1
11	10	12	1
12	11	13	1
13	12	13	1
14	5	14	1
15	5	15	1
16	8	16	1
17	8	17	1
18	8	18	1
19	9	19	1
20	9	20	1
21	10	21	1
22	10	22	1
23	11	23	1
24	11	24	1
25	12	25	1
26	12	26	1
27	13	27	1
28	13	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1