@<TRIPOS>MOLECULE
DB02636
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.1167    -1.4893    -1.3404	O.2	1	noname	-0.1437
2	N1     1.9504    -1.4144    -1.1685	N.2	1	noname	-0.0089
3	O2     1.3927    -2.5459    -1.0561	O.3	1	noname	-0.1437
4	C1     1.2308    -0.2610    -1.2000	C.2	1	noname	0.0659
5	C2     0.0376     0.1120    -0.4560	C.2	1	noname	0.0701
6	C3     1.6753     0.6367    -2.1904	C.2	1	noname	0.0583
7	C4    -0.6764     1.3477    -0.8035	C.2	1	noname	0.0369
8	C5    -0.5095    -0.6900     0.6226	C.2	1	noname	0.0290
9	C6     1.0292     1.8308    -2.5172	C.2	1	noname	0.0177
10	C7    -0.1370     2.2371    -1.7871	C.2	1	noname	0.0056
11	C8    -1.9010     1.6159    -0.1309	C.2	1	noname	0.0709
12	C9     0.0579    -1.7403     1.3029	C.2	1	noname	0.0901
13	C10    -1.7380    -0.3835     1.2460	C.2	1	noname	0.0440
14	C11     1.5386     2.6161    -3.5874	C.2	1	noname	0.0396
15	C12    -0.6632     3.5363    -2.0666	C.2	1	noname	-0.0396
16	O3    -2.7135     2.6847    -0.3114	O.3	1	noname	-0.2379
17	C13    -2.3992     0.7876     0.8528	C.2	1	noname	0.0550
18	O4     1.2222    -1.7643     1.6773	O.2	1	noname	-0.2586
19	O5    -0.7172    -2.8117     1.5747	O.3	1	noname	-0.2184
20	O6     2.6726     2.2888    -4.2695	O.3	1	noname	-0.2638
21	C14     0.8631     3.8128    -3.9078	C.2	1	noname	0.0285
22	C15    -0.1825     4.3327    -3.1216	C.2	1	noname	-0.0176
23	C16    -3.7356     2.4802     0.6636	C.3	1	noname	0.1587
24	O7    -3.5238     1.2650     1.4022	O.3	1	noname	-0.2430
25	C17     3.7945     2.8872    -3.6373	C.3	1	noname	0.0424
26	O8     1.1852     4.4739    -5.0323	O.3	1	noname	-0.2754
27	H1     2.5824     0.3902    -2.7423	H	1	noname	0.0654
28	H2    -2.1643    -1.0333     2.0103	H	1	noname	0.0659
29	H3    -1.4662     3.9373    -1.4481	H	1	noname	0.0630
30	H4    -0.7941    -2.9180     2.5257	H	1	noname	0.2216
31	H5    -0.6050     5.3172    -3.3226	H	1	noname	0.0651
32	H6    -3.6417     3.2971     1.3791	H	1	noname	0.0892
33	H7    -4.6638     2.3463     0.1080	H	1	noname	0.0892
34	H8     3.6779     2.8250    -2.5554	H	1	noname	0.0535
35	H9     4.7022     2.3627    -3.9357	H	1	noname	0.0535
36	H10     3.8646     3.9332    -3.9357	H	1	noname	0.0535
37	H11     1.3845     3.8434    -5.7283	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	9	1
9	7	10	1
10	7	11	2
11	8	12	1
12	8	13	1
13	9	14	2
14	9	10	1
15	10	15	2
16	11	16	1
17	11	17	1
18	12	18	2
19	12	19	1
20	13	17	2
21	14	20	1
22	14	21	1
23	15	22	1
24	16	23	1
25	17	24	1
26	20	25	1
27	21	26	1
28	21	22	2
29	23	24	1
30	6	27	1
31	13	28	1
32	15	29	1
33	19	30	1
34	22	31	1
35	23	32	1
36	23	33	1
37	25	34	1
38	25	35	1
39	25	36	1
40	26	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1