@<TRIPOS>MOLECULE
DB00960
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.1831    -1.2013    -0.2582	O.3	1	noname	-0.2687
2	C1    -0.8674    -0.9853    -0.4697	C.2	1	noname	0.0198
3	C2    -2.3566    -2.4335     0.4259	C.3	1	noname	0.0806
4	C3    -0.0692    -0.2872     0.4774	C.2	1	noname	-0.0104
5	C4    -0.2148    -1.4506    -1.6601	C.2	1	noname	-0.0179
6	C5    -3.8477    -2.6783     0.6656	C.3	1	noname	0.0904
7	C6     1.3067    -0.0596     0.2697	C.2	1	noname	-0.0823
8	C7    -0.4237     0.3253     1.6692	C.2	1	noname	-0.0297
9	C8     1.1803    -1.1931    -1.8867	C.2	1	noname	-0.0395
10	O2    -4.0212    -3.9105     1.3497	O.3	1	noname	-0.3892
11	C9    -4.4218    -1.5401     1.5117	C.3	1	noname	0.0239
12	N1     1.7720     0.6453     1.3108	N.3	1	noname	-0.0824
13	C10     1.9677    -0.4833    -0.9179	C.2	1	noname	-0.0507
14	C11     0.7524     0.8973     2.1574	C.2	1	noname	-0.1214
15	N2    -5.8467    -1.7739     1.7408	N.3	1	noname	-0.3118
16	C12    -6.3952    -0.6863     2.5492	C.3	1	noname	0.0012
17	C13    -7.8864    -0.9310     2.7890	C.3	1	noname	-0.0500
18	C14    -5.6650    -0.6310     3.8926	C.3	1	noname	-0.0500
19	H1    -1.9945    -3.2000    -0.2594	H	1	noname	0.0599
20	H2    -1.8765    -2.2982     1.3951	H	1	noname	0.0599
21	H3    -0.7868    -2.0074    -2.4024	H	1	noname	0.0650
22	H4    -4.3892    -2.7880    -0.2740	H	1	noname	0.0638
23	H5    -1.4137     0.3515     2.1243	H	1	noname	0.0643
24	H6     1.6484    -1.5414    -2.8074	H	1	noname	0.0624
25	H7    -3.9995    -3.7564     2.2970	H	1	noname	0.2106
26	H8    -3.9482    -1.5881     2.4923	H	1	noname	0.0455
27	H9    -4.3588    -0.6266     0.9202	H	1	noname	0.0455
28	H10     2.7305     0.9376     1.4365	H	1	noname	0.1522
29	H11     3.0255    -0.2744    -1.0776	H	1	noname	0.0642
30	H12     0.8607     1.4670     3.0803	H	1	noname	0.0789
31	H13    -6.3709    -2.5645     1.3941	H	1	noname	0.1225
32	H14    -6.2418     0.2364     1.9896	H	1	noname	0.0459
33	H15    -8.0816    -0.9631     3.8609	H	1	noname	0.0246
34	H16    -8.4641    -0.1240     2.3384	H	1	noname	0.0246
35	H17    -8.1758    -1.8804     2.3384	H	1	noname	0.0246
36	H18    -5.4739    -1.6449     4.2442	H	1	noname	0.0246
37	H19    -4.7185    -0.1044     3.7703	H	1	noname	0.0246
38	H20    -6.2824    -0.1044     4.6204	H	1	noname	0.0246
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	2
9	6	10	1
10	6	11	1
11	7	12	1
12	7	13	2
13	8	14	2
14	9	13	1
15	11	15	1
16	12	14	1
17	15	16	1
18	16	17	1
19	16	18	1
20	3	19	1
21	3	20	1
22	5	21	1
23	6	22	1
24	8	23	1
25	9	24	1
26	10	25	1
27	11	26	1
28	11	27	1
29	12	28	1
30	13	29	1
31	14	30	1
32	15	31	1
33	16	32	1
34	17	33	1
35	17	34	1
36	17	35	1
37	18	36	1
38	18	37	1
39	18	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1