@<TRIPOS>MOLECULE
DB07499
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.7530     0.0337     0.4746	S.3	1	noname	-0.1444
2	C1     0.0016     0.0715     0.2833	C.2	1	noname	0.1052
3	C2     2.1045     1.6800    -0.0418	C.2	1	noname	0.0911
4	N1    -0.2508     1.3217    -0.1677	N.2	1	noname	-0.1763
5	C3    -0.9024    -0.9995     0.2471	C.2	1	noname	0.0657
6	C4     0.8153     2.1568    -0.3404	C.2	1	noname	0.0823
7	N2    -2.2641    -0.7887     0.1495	N.2	1	noname	-0.1984
8	C5    -0.4046    -2.3140     0.1367	C.2	1	noname	0.0821
9	C6     0.6302     3.4544    -0.8029	C.2	1	noname	0.0470
10	C7    -3.0924    -1.7951    -0.2510	C.2	1	noname	0.0754
11	S2    -1.8845    -3.0740    -0.4534	S.3	1	noname	-0.1645
12	O1    -0.5205     3.8664    -1.0649	O.2	1	noname	-0.2843
13	N3     1.6854     4.2637    -0.9681	N.3	1	noname	-0.0676
14	C8     1.4976     5.5801    -1.4372	C.3	1	noname	0.0031
15	C9     2.8521     6.2847    -1.5351	C.3	1	noname	-0.0389
16	C10     2.6484     7.7131    -2.0442	C.3	1	noname	-0.0390
17	C11     4.0029     8.4177    -2.1420	C.3	1	noname	0.0024
18	N4     3.8152     9.7340    -2.6112	N.3	1	noname	-0.1252
19	C12     4.9749    10.3374    -2.6950	C.2	1	noname	-0.1456
20	N5     5.0377    11.5445    -3.1005	N.2	1	noname	-0.2746
21	N6     6.0702     9.7004    -2.3621	N.3	1	noname	-0.1344
22	H1     2.9869     2.3091    -0.1589	H	1	noname	0.0764
23	H2     0.6175    -2.6005     0.3846	H	1	noname	0.0763
24	H3    -4.1677    -1.6512    -0.3557	H	1	noname	0.0959
25	H4     2.5974     3.8917    -0.7449	H	1	noname	0.1313
26	H5     1.0969     5.4726    -2.4452	H	1	noname	0.0433
27	H6     0.9095     6.0796    -0.6674	H	1	noname	0.0433
28	H7     3.2392     6.3650    -0.5193	H	1	noname	0.0280
29	H8     3.4265     5.7580    -2.2971	H	1	noname	0.0280
30	H9     2.2613     7.6328    -3.0600	H	1	noname	0.0280
31	H10     2.0740     8.2398    -1.2821	H	1	noname	0.0280
32	H11     4.4036     8.5251    -1.1340	H	1	noname	0.0432
33	H12     4.5910     7.9182    -2.9119	H	1	noname	0.0432
34	H13     2.9496    10.1920    -2.8588	H	1	noname	0.1306
35	H14     5.0701    12.1657    -2.3048	H	1	noname	0.1898
36	H15     6.0526     8.6987    -2.2337	H	1	noname	0.1267
37	H16     6.9321    10.2110    -2.2337	H	1	noname	0.1267
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	4	6	1
7	5	7	1
8	5	8	2
9	6	9	1
10	7	10	2
11	8	11	1
12	9	12	2
13	9	13	1
14	10	11	1
15	13	14	1
16	14	15	1
17	15	16	1
18	16	17	1
19	17	18	1
20	18	19	1
21	19	20	2
22	19	21	1
23	3	22	1
24	8	23	1
25	10	24	1
26	13	25	1
27	14	26	1
28	14	27	1
29	15	28	1
30	15	29	1
31	16	30	1
32	16	31	1
33	17	32	1
34	17	33	1
35	18	34	1
36	20	35	1
37	21	36	1
38	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1