@<TRIPOS>MOLECULE
DB02959
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.6661    -3.6380     0.3996	O.2	1	noname	-0.2495
2	C1     3.8719    -2.4399     0.1084	C.2	1	noname	0.1439
3	O2     4.9293    -2.1042    -0.6608	O.3	1	noname	-0.2139
4	C2     2.9686    -1.4037     0.6002	C.3	1	noname	0.0954
5	N1     3.7172    -0.4552     1.4234	N.3	1	noname	-0.3191
6	C3     2.3436    -0.6669    -0.5861	C.3	1	noname	-0.0011
7	C4     1.4403     0.3693    -0.0943	C.2	1	noname	-0.0424
8	C5     0.0802     0.2423     0.1806	C.2	1	noname	-0.0257
9	C6     1.7573     1.6993     0.2005	C.2	1	noname	-0.1082
10	C7    -0.3747     1.4821     0.6590	C.2	1	noname	-0.0957
11	C8    -0.8070    -0.8503    -0.0700	C.2	1	noname	-0.0070
12	N2     0.6606     2.3410     0.6619	N.3	1	noname	-0.0775
13	C9    -1.7572     1.7228     0.9485	C.2	1	noname	-0.0332
14	C10    -2.1938    -0.6073     0.1654	C.2	1	noname	0.0075
15	C11    -2.6582     0.6516     0.6703	C.2	1	noname	-0.0174
16	O3    -3.0882    -1.5848    -0.0934	O.3	1	noname	-0.2852
17	H1     5.6714    -1.8685    -0.0993	H	1	noname	0.2213
18	H2     2.2151    -1.8799     1.2276	H	1	noname	0.0575
19	H3     4.6623    -0.6695     1.7077	H	1	noname	0.1191
20	H4     3.2891     0.4143     1.7077	H	1	noname	0.1191
21	H5     3.1448    -0.1433    -1.1076	H	1	noname	0.0338
22	H6     1.7179    -1.3795    -1.1236	H	1	noname	0.0338
23	H7     2.7319     2.1737     0.0855	H	1	noname	0.0792
24	H8    -0.4454    -1.8166    -0.4216	H	1	noname	0.0657
25	H9     0.6212     3.3052     0.9603	H	1	noname	0.1522
26	H10    -2.1053     2.6708     1.3587	H	1	noname	0.0643
27	H11    -3.7237     0.7981     0.8473	H	1	noname	0.0650
28	H12    -3.4173    -1.9445     0.7336	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	7	9	2
9	8	10	2
10	8	11	1
11	9	12	1
12	10	13	1
13	10	12	1
14	11	14	2
15	13	15	2
16	14	16	1
17	14	15	1
18	3	17	1
19	4	18	1
20	5	19	1
21	5	20	1
22	6	21	1
23	6	22	1
24	9	23	1
25	11	24	1
26	12	25	1
27	13	26	1
28	15	27	1
29	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1