@<TRIPOS>MOLECULE
DB04207
39 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.9065    -3.0463     0.3289	O.2	1	noname	-0.2496
2	C1     2.3329    -2.1316    -0.3009	C.2	1	noname	0.1438
3	O2     2.9557    -1.5331    -1.3385	O.3	1	noname	-0.2139
4	C2     0.9895    -1.7103     0.0855	C.3	1	noname	0.0942
5	N1     1.0094    -0.2956     0.4539	N.3	1	noname	-0.3053
6	C3     0.0321    -1.9178    -1.0898	C.3	1	noname	-0.0188
7	C4    -0.3358     0.1262     0.8409	C.3	1	noname	-0.0040
8	C5     0.0113    -3.3983    -1.4753	C.3	1	noname	0.0355
9	C6    -0.3150     1.6067     1.2264	C.3	1	noname	-0.0405
10	C7    -0.9023    -3.5964    -2.5968	C.2	1	noname	0.1348
11	C8    -1.7228     2.0481     1.6313	C.3	1	noname	-0.0501
12	O3    -1.0695    -4.7402    -3.0722	O.2	1	noname	-0.2559
13	O4    -1.5664    -2.5440    -3.1204	O.3	1	noname	-0.2189
14	C9    -1.7020     3.5286     2.0169	C.3	1	noname	-0.0283
15	C10    -3.1098     3.9700     2.4218	C.3	1	noname	0.0912
16	N2    -3.0899     5.3847     2.7902	N.3	1	noname	-0.3194
17	C11    -3.5596     3.1765     3.5619	C.2	1	noname	0.1437
18	O5    -4.5885     2.4731     3.4668	O.2	1	noname	-0.2496
19	O6    -2.8643     3.2025     4.7187	O.3	1	noname	-0.2140
20	H1     3.3098    -2.2026    -1.9284	H	1	noname	0.2213
21	H2     0.6916    -2.2870     0.9611	H	1	noname	0.0574
22	H3     1.8262     0.2984     0.4428	H	1	noname	0.1230
23	H4    -0.9668    -1.6725    -0.7290	H	1	noname	0.0293
24	H5     0.4532    -1.3778    -1.9378	H	1	noname	0.0293
25	H6    -0.9503     0.0281    -0.0541	H	1	noname	0.0428
26	H7    -0.5830    -0.4434     1.7367	H	1	noname	0.0428
27	H8     1.0029    -3.6556    -1.8475	H	1	noname	0.0373
28	H9    -0.4170    -3.9504    -0.6387	H	1	noname	0.0373
29	H10     0.3094     1.6914     2.1158	H	1	noname	0.0279
30	H11    -0.0579     2.1629     0.3250	H	1	noname	0.0279
31	H12    -2.3472     1.9633     0.7419	H	1	noname	0.0268
32	H13    -1.9799     1.4918     2.5327	H	1	noname	0.0268
33	H14    -1.9112    -1.9978    -2.4102	H	1	noname	0.2213
34	H15    -1.0776     3.6133     2.9063	H	1	noname	0.0288
35	H16    -1.4449     4.0849     1.1155	H	1	noname	0.0288
36	H17    -3.8275     3.8381     1.6121	H	1	noname	0.0571
37	H18    -2.2084     5.8610     2.9175	H	1	noname	0.1191
38	H19    -3.9576     5.8857     2.9175	H	1	noname	0.1191
39	H20    -2.6905     2.3037     5.0079	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	10	12	2
12	10	13	1
13	11	14	1
14	14	15	1
15	15	16	1
16	15	17	1
17	17	18	2
18	17	19	1
19	3	20	1
20	4	21	1
21	5	22	1
22	6	23	1
23	6	24	1
24	7	25	1
25	7	26	1
26	8	27	1
27	8	28	1
28	9	29	1
29	9	30	1
30	11	31	1
31	11	32	1
32	13	33	1
33	14	34	1
34	14	35	1
35	15	36	1
36	16	37	1
37	16	38	1
38	19	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1