@<TRIPOS>MOLECULE
DB06840
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.2158    -1.5549    -0.8781	O.3	1	noname	-0.2742
2	C1     4.2814    -2.2167    -0.2125	C.3	1	noname	0.0292
3	B1     2.2848    -0.9193     0.1564	B	1	noname	0.2000
4	C2     5.2125    -2.8523    -1.2470	C.3	1	noname	-0.0431
5	O2     1.7178    -2.0083     1.0694	O.3	1	noname	-0.2742
6	C3     1.0541    -0.1550    -0.6123	C.3	1	noname	0.0401
7	C4     0.9901    -2.9470     0.2912	C.3	1	noname	0.0292
8	N1     1.5959     0.8855    -1.4848	N.3	1	noname	-0.3296
9	C5     0.1231     0.4806     0.4221	C.3	1	noname	-0.0397
10	C6     0.4232    -4.0359     1.2042	C.3	1	noname	-0.0431
11	C7    -1.0250     1.1936    -0.2950	C.3	1	noname	-0.0511
12	C8    -1.9561     1.8292     0.7394	C.3	1	noname	-0.0408
13	C9    -3.1042     2.5422     0.0223	C.3	1	noname	-0.0076
14	N2    -3.9939     3.1495     1.0108	N.3	1	noname	-0.3304
15	H1     4.8348    -1.4315     0.3026	H	1	noname	0.0546
16	H2     3.8140    -3.0186     0.3589	H	1	noname	0.0546
17	H3     6.0074    -3.3949    -0.7354	H	1	noname	0.0253
18	H4     4.6449    -3.5424    -1.8712	H	1	noname	0.0253
19	H5     5.6484    -2.0723    -1.8712	H	1	noname	0.0253
20	H6     0.4628    -0.7958    -1.2664	H	1	noname	0.0428
21	H7     0.1533    -2.3895    -0.1294	H	1	noname	0.0546
22	H8     1.7243    -3.4085    -0.3692	H	1	noname	0.0546
23	H9     2.5589     0.8410    -1.7862	H	1	noname	0.1181
24	H10     1.0072     1.6489    -1.7862	H	1	noname	0.1181
25	H11    -0.3204    -0.3369     0.9906	H	1	noname	0.0277
26	H12     0.7005     1.2502     0.9343	H	1	noname	0.0277
27	H13     0.5718    -3.7506     2.2457	H	1	noname	0.0253
28	H14    -0.6425    -4.1555     1.0087	H	1	noname	0.0253
29	H15     0.9363    -4.9775     1.0087	H	1	noname	0.0253
30	H16    -0.5816     2.0111    -0.8635	H	1	noname	0.0267
31	H17    -1.6024     0.4239    -0.8072	H	1	noname	0.0267
32	H18    -2.3996     1.0117     1.3079	H	1	noname	0.0279
33	H19    -1.3787     2.5988     1.2516	H	1	noname	0.0279
34	H20    -2.6753     3.3691    -0.5437	H	1	noname	0.0425
35	H21    -3.6961     1.7820    -0.4874	H	1	noname	0.0425
36	H22    -3.8080     4.0817     1.3522	H	1	noname	0.1184
37	H23    -4.7943     2.6369     1.3522	H	1	noname	0.1184
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	9	11	1
11	11	12	1
12	12	13	1
13	13	14	1
14	2	15	1
15	2	16	1
16	4	17	1
17	4	18	1
18	4	19	1
19	6	20	1
20	7	21	1
21	7	22	1
22	8	23	1
23	8	24	1
24	9	25	1
25	9	26	1
26	10	27	1
27	10	28	1
28	10	29	1
29	11	30	1
30	11	31	1
31	12	32	1
32	12	33	1
33	13	34	1
34	13	35	1
35	14	36	1
36	14	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1