@<TRIPOS>MOLECULE
DB03493
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.3575     3.4843    -1.7775	O.2	1	noname	-0.2473
2	C1    -3.5714     3.9289    -0.9133	C.2	1	noname	0.1351
3	N1    -3.8624     5.0586    -0.1910	N.2	1	noname	-0.1547
4	C2    -2.3455     3.2938    -0.6355	C.2	1	noname	0.0275
5	C3    -3.0388     5.5983     0.7650	C.2	1	noname	-0.0299
6	N2    -1.8089     2.1837    -1.1448	N.3	1	noname	0.0452
7	C4    -1.4991     3.8558     0.3242	C.2	1	noname	0.2186
8	N3    -1.8387     4.9935     1.0216	N.3	1	noname	0.1280
9	N4    -3.4040     6.6993     1.4358	N.3	1	noname	-0.1306
10	C5    -0.6236     2.0577    -0.5277	C.2	1	noname	0.1463
11	C6    -2.3654     1.3293    -2.1187	C.3	1	noname	-0.0366
12	N5    -0.4060     3.0743     0.3444	N.2	1	noname	0.0037
13	C7     0.7591     3.3447     1.1468	C.3	1	noname	0.1759
14	O2     1.3046     4.6100     0.8038	O.3	1	noname	-0.3196
15	C8     1.9601     2.3811     1.0614	C.3	1	noname	0.1595
16	C9     2.4935     4.6379     1.5870	C.3	1	noname	0.1160
17	O3     1.7607     1.2960     1.9554	O.3	1	noname	-0.3813
18	C10     3.1121     3.2373     1.5542	C.3	1	noname	0.1174
19	C11     3.4769     5.6440     0.9857	C.3	1	noname	0.0724
20	O4     3.4639     2.8442     2.8725	O.3	1	noname	-0.3871
21	O5     2.8862     6.9352     0.9759	O.3	1	noname	-0.3934
22	H1    -1.2138     5.3804     1.7144	H	1	noname	0.0722
23	H2    -2.7113     7.3896     1.6886	H	1	noname	0.1257
24	H3    -4.3718     6.8389     1.6886	H	1	noname	0.1257
25	H4     0.0708     1.2378    -0.7108	H	1	noname	0.1459
26	H5    -2.8962     0.5143    -1.6265	H	1	noname	0.0438
27	H6    -3.0609     1.8922    -2.7412	H	1	noname	0.0438
28	H7    -1.5694     0.9207    -2.7412	H	1	noname	0.0438
29	H8     0.2936     3.3198     2.1320	H	1	noname	0.1331
30	H9     2.1228     1.8998     0.0971	H	1	noname	0.0724
31	H10     2.2002     4.9376     2.5931	H	1	noname	0.0658
32	H11     1.8187     1.6118     2.8601	H	1	noname	0.2110
33	H12     4.0408     3.1383     0.9922	H	1	noname	0.0659
34	H13     4.3331     5.7210     1.6558	H	1	noname	0.0591
35	H14     3.6266     5.3847    -0.0624	H	1	noname	0.0591
36	H15     3.4785     1.8859     2.9275	H	1	noname	0.2106
37	H16     2.7505     7.2319     1.8787	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	4	6	1
6	4	7	2
7	5	8	1
8	5	9	1
9	6	10	1
10	6	11	1
11	7	12	1
12	7	8	1
13	10	12	2
14	13	12	1
15	13	14	1
16	13	15	1
17	14	16	1
18	15	17	1
19	15	18	1
20	16	19	1
21	16	18	1
22	18	20	1
23	19	21	1
24	8	22	1
25	9	23	1
26	9	24	1
27	10	25	1
28	11	26	1
29	11	27	1
30	11	28	1
31	13	29	1
32	15	30	1
33	16	31	1
34	17	32	1
35	18	33	1
36	19	34	1
37	19	35	1
38	20	36	1
39	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1