@<TRIPOS>MOLECULE
DB00962
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.0068    -5.5928     3.4105	O.2	1	noname	-0.2757
2	C1    -1.5548    -4.8492     2.5131	C.2	1	noname	0.1312
3	N1    -1.4383    -5.3072     1.2592	N.3	1	noname	-0.1323
4	C2    -1.1538    -3.4819     2.8311	C.3	1	noname	0.0101
5	C3    -0.9537    -4.5101     0.2971	C.2	1	noname	-0.0129
6	C4    -1.8255    -6.6277     0.9521	C.3	1	noname	0.0080
7	C5    -1.1468    -3.1356     0.3707	C.2	1	noname	-0.0119
8	C6    -0.2580    -5.0579    -0.7743	C.2	1	noname	-0.0289
9	C7    -3.3014    -6.6457     0.5490	C.3	1	noname	-0.0515
10	C8    -0.6442    -2.3088    -0.6273	C.2	1	noname	-0.0235
11	C9     0.2446    -4.2311    -1.7723	C.2	1	noname	-0.0460
12	C10    -0.8372    -0.9342    -0.5538	C.2	1	noname	-0.0238
13	C11     0.0515    -2.8566    -1.6988	C.2	1	noname	-0.0381
14	N2    -0.9364    -0.3163     0.6613	N.3	1	noname	-0.0382
15	C12    -0.9337    -0.1547    -1.7488	C.2	1	noname	0.0097
16	N3    -0.8763    -0.8349     1.8441	N.2	1	noname	-0.2897
17	C13    -1.1238     1.0153     0.7626	C.2	1	noname	0.0478
18	C14    -1.1316     1.2497    -1.6095	C.2	1	noname	0.0454
19	C15    -1.0240     0.1523     2.7521	C.2	1	noname	0.0660
20	N4    -1.2218     1.7992    -0.3449	N.2	1	noname	-0.2080
21	C16    -1.1874     1.3694     2.0963	C.2	1	noname	0.0870
22	C17    -1.3569     2.5429     2.6095	C.1	1	noname	0.0928
23	N5    -1.5076     3.5857     3.0654	N.1	1	noname	-0.1775
24	H1    -1.1170    -3.3564     3.9132	H	1	noname	0.0324
25	H2    -0.1685    -3.2847     2.4088	H	1	noname	0.0324
26	H3    -1.8765    -2.7838     2.4088	H	1	noname	0.0324
27	H4    -1.2321    -6.9073     0.0815	H	1	noname	0.0437
28	H5    -1.7211    -7.1831     1.8841	H	1	noname	0.0437
29	H6    -1.6923    -2.7060     1.2109	H	1	noname	0.0646
30	H7    -0.1066    -6.1358    -0.8320	H	1	noname	0.0639
31	H8    -3.9226    -6.6533     1.4447	H	1	noname	0.0244
32	H9    -3.5274    -5.7584    -0.0424	H	1	noname	0.0244
33	H10    -3.5056    -7.5382    -0.0424	H	1	noname	0.0244
34	H11     0.7901    -4.6607    -2.6125	H	1	noname	0.0623
35	H12     0.4457    -2.2082    -2.4813	H	1	noname	0.0629
36	H13    -0.8588    -0.6159    -2.7335	H	1	noname	0.0659
37	H14    -1.2145     1.9072    -2.4749	H	1	noname	0.0840
38	H15    -1.0132    -0.0062     3.8305	H	1	noname	0.0871
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	5	7	2
7	5	8	1
8	6	9	1
9	7	10	1
10	8	11	2
11	10	12	1
12	10	13	2
13	11	13	1
14	12	14	1
15	12	15	2
16	14	16	1
17	14	17	1
18	15	18	1
19	16	19	2
20	17	20	1
21	17	21	2
22	18	20	2
23	19	21	1
24	21	22	1
25	22	23	3
26	4	24	1
27	4	25	1
28	4	26	1
29	6	27	1
30	6	28	1
31	7	29	1
32	8	30	1
33	9	31	1
34	9	32	1
35	9	33	1
36	11	34	1
37	13	35	1
38	15	36	1
39	18	37	1
40	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1