@<TRIPOS>MOLECULE
DB03129
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2479    -0.0546     0.0050	O.3	1	noname	-0.2356
2	C1     0.3011    -0.5058    -1.2224	C.3	1	noname	0.0566
3	B1     0.4330     1.3127     0.0722	B	1	noname	0.1922
4	C2     0.1369     0.6975    -2.1483	C.3	1	noname	0.0566
5	O2     0.4358     1.8530    -1.3656	O.3	1	noname	-0.2356
6	O3    -0.3851     2.2465     0.9664	O.3	1	noname	-0.2372
7	C3     0.2474     3.5163     1.0288	C.3	1	noname	0.0359
8	C4    -0.5708     4.4501     1.9230	C.3	1	noname	-0.0178
9	C5     0.1107     5.8183     1.9903	C.3	1	noname	0.0082
10	N1    -0.6433     6.6789     2.8144	N.3	1	noname	-0.0878
11	C6    -0.0598     7.8504     2.8720	C.2	1	noname	-0.0597
12	N2    -0.5760     8.7861     3.5673	N.2	1	noname	0.1626
13	N3     1.0540     8.0604     2.2151	N.3	1	noname	-0.0968
14	H1     1.3629    -0.6813    -1.0495	H	1	noname	0.0573
15	H2    -0.3351    -1.3175    -1.5752	H	1	noname	0.0573
16	H3     0.9026     0.6452    -2.9222	H	1	noname	0.0573
17	H4    -0.9140     0.7791    -2.4260	H	1	noname	0.0573
18	H5     1.2073     3.3395     1.5140	H	1	noname	0.0550
19	H6     0.2145     3.9079     0.0121	H	1	noname	0.0550
20	H7    -1.5298     4.6003     1.4272	H	1	noname	0.0302
21	H8    -0.5369     4.0319     2.9290	H	1	noname	0.0302
22	H9     1.0672     5.6969     2.4986	H	1	noname	0.0435
23	H10     0.0743     6.2652     0.9968	H	1	noname	0.0435
24	H11    -1.5023     6.4792     3.3066	H	1	noname	0.1346
25	H12    -0.0146     9.5793     3.8427	H	1	noname	0.2878
26	H13    -1.5464     8.7343     3.8427	H	1	noname	0.2878
27	H14     1.6454     7.2818     1.9619	H	1	noname	0.1308
28	H15     1.3213     9.0009     1.9619	H	1	noname	0.1308
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	5	1
7	6	7	1
8	7	8	1
9	8	9	1
10	9	10	1
11	10	11	1
12	11	12	2
13	11	13	1
14	2	14	1
15	2	15	1
16	4	16	1
17	4	17	1
18	7	18	1
19	7	19	1
20	8	20	1
21	8	21	1
22	9	22	1
23	9	23	1
24	10	24	1
25	12	25	1
26	12	26	1
27	13	27	1
28	13	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1