@<TRIPOS>MOLECULE
DB02984
40 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.2134    -5.6514    -2.0620	S.3	1	noname	-0.1209
2	C1     1.1786    -3.9443    -1.7839	C.2	1	noname	-0.0303
3	C2    -0.4432    -6.2273    -2.4668	C.3	1	noname	-0.0136
4	C3     0.9468    -3.4531    -0.5043	C.2	1	noname	-0.0371
5	C4     1.3823    -3.0638    -2.8400	C.2	1	noname	-0.0617
6	C5     0.9188    -2.0815    -0.2809	C.2	1	noname	-0.0250
7	C6     1.3543    -1.6921    -2.6165	C.2	1	noname	-0.0565
8	N1     0.6955    -1.6080     0.9526	N.3	1	noname	0.0046
9	C7     1.1226    -1.2010    -1.3370	C.2	1	noname	-0.0572
10	C8     0.7132    -0.2684     0.9268	C.2	1	noname	0.0373
11	N2     1.9011     0.3899     1.1318	N.2	1	noname	-0.2424
12	C9    -0.5017     0.4389     0.6872	C.2	1	noname	-0.0127
13	C10     2.0000     1.7674     1.1202	C.2	1	noname	0.0406
14	C11    -0.3739     1.8592     0.6800	C.2	1	noname	0.0462
15	C12    -1.7214    -0.1475     1.0043	C.2	1	noname	0.0264
16	N3     0.8361     2.4742     0.8900	N.2	1	noname	-0.2520
17	C13    -1.5063     2.6411     0.4846	C.2	1	noname	0.0378
18	C14    -2.8165     0.6504     1.3145	C.2	1	noname	0.0453
19	C15    -2.7718     2.0278     0.8297	C.2	1	noname	0.0600
20	O1    -3.8633     0.1787     2.0244	O.3	1	noname	-0.2654
21	O2    -3.9163     2.7325     0.7029	O.3	1	noname	-0.2629
22	C16    -3.6317     0.3935     3.4088	C.3	1	noname	0.0424
23	C17    -4.4482     2.5410    -0.5998	C.3	1	noname	0.0424
24	H1    -0.9960    -6.4194    -1.5472	H	1	noname	0.0347
25	H2    -0.9607    -5.4650    -3.0492	H	1	noname	0.0347
26	H3    -0.3762    -7.1462    -3.0492	H	1	noname	0.0347
27	H4     0.7871    -4.1436     0.3238	H	1	noname	0.0651
28	H5     1.5640    -3.4489    -3.8433	H	1	noname	0.0634
29	H6     1.5140    -1.0017    -3.4447	H	1	noname	0.0623
30	H7     0.5381    -2.1734     1.7746	H	1	noname	0.1357
31	H8     1.1006    -0.1254    -1.1618	H	1	noname	0.0639
32	H9     2.9516     2.2727     1.2849	H	1	noname	0.1062
33	H10    -1.8191    -1.2331     1.0098	H	1	noname	0.0659
34	H11    -1.4098     3.6535     0.0925	H	1	noname	0.0674
35	H12    -3.5468    -0.5673     3.9164	H	1	noname	0.0535
36	H13    -2.7075     0.9564     3.5395	H	1	noname	0.0535
37	H14    -4.4630     0.9564     3.8333	H	1	noname	0.0535
38	H15    -4.5318     1.4737    -0.8048	H	1	noname	0.0535
39	H16    -5.4344     3.0011    -0.6608	H	1	noname	0.0535
40	H17    -3.7865     3.0011    -1.3336	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	4	6	1
6	5	7	2
7	6	8	1
8	6	9	2
9	7	9	1
10	8	10	1
11	10	11	2
12	10	12	1
13	11	13	1
14	12	14	1
15	12	15	2
16	13	16	2
17	14	17	2
18	14	16	1
19	15	18	1
20	17	19	1
21	18	20	1
22	18	19	2
23	19	21	1
24	20	22	1
25	21	23	1
26	3	24	1
27	3	25	1
28	3	26	1
29	4	27	1
30	5	28	1
31	7	29	1
32	8	30	1
33	9	31	1
34	13	32	1
35	15	33	1
36	17	34	1
37	22	35	1
38	22	36	1
39	22	37	1
40	23	38	1
41	23	39	1
42	23	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1