@<TRIPOS>MOLECULE
DB01414
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.3595     0.0065     1.6256	S.3	1	noname	-0.1351
2	C1     1.4510     0.3794     0.0662	C.3	1	noname	0.0924
3	C2     2.2703    -1.8464     1.7589	C.3	1	noname	0.0204
4	N1     0.3492    -0.4897    -0.0334	N.3	1	noname	0.0612
5	C3     0.4215     1.5264    -0.0414	C.3	1	noname	0.1141
6	C4     1.1670    -2.4352     0.9954	C.2	1	noname	0.0250
7	C5     0.2854    -1.8050     0.1901	C.2	1	noname	0.0381
8	C6    -0.6830     0.4582    -0.0928	C.2	1	noname	0.0862
9	N2     0.2628     2.4625     1.0713	N.3	1	noname	-0.0660
10	C7     1.0041    -3.8506     1.1181	C.3	1	noname	0.0803
11	C8    -0.6957    -2.5303    -0.4107	C.2	1	noname	0.1021
12	O1    -1.9312     0.4419    -0.1578	O.2	1	noname	-0.2823
13	C9     1.0035     3.5782     1.1191	C.2	1	noname	0.0481
14	O2     1.7700    -4.5038     0.1166	O.3	1	noname	-0.2047
15	O3    -1.1465    -2.1731    -1.5205	O.2	1	noname	-0.2528
16	O4    -1.1828    -3.6360     0.1915	O.3	1	noname	-0.2141
17	O5     0.8679     4.3782     2.0699	O.2	1	noname	-0.2913
18	C10     1.9690     3.8593     0.0606	C.3	1	noname	0.1087
19	C11     1.7699    -5.8516     0.0385	C.2	1	noname	0.1396
20	C12     3.2178     3.9477     0.5969	C.1	1	noname	0.0671
21	O6     2.4442    -6.4266    -0.8431	O.2	1	noname	-0.2550
22	C13     0.9823    -6.6375     0.9837	C.3	1	noname	0.0220
23	N3     4.2704     4.0222     1.0490	N.1	1	noname	-0.1932
24	H1     2.1810     0.4362    -0.7412	H	1	noname	0.0615
25	H2     3.1328    -2.2996     1.2704	H	1	noname	0.0429
26	H3     2.0045    -2.1370     2.7753	H	1	noname	0.0429
27	H4     0.5672     2.3237    -0.7701	H	1	noname	0.0592
28	H5    -0.3836     2.3336     1.8366	H	1	noname	0.1319
29	H6     1.4349    -4.1371     2.0775	H	1	noname	0.0622
30	H7    -0.0420    -4.0690     0.9035	H	1	noname	0.0622
31	H8    -1.1355    -3.5287     1.1443	H	1	noname	0.2217
32	H9     1.9973     2.9974    -0.6061	H	1	noname	0.0520
33	H10     1.7513     4.8500    -0.3384	H	1	noname	0.0520
34	H11     1.2572    -6.3631     2.0022	H	1	noname	0.0336
35	H12    -0.0779    -6.4381     0.8274	H	1	noname	0.0336
36	H13     1.1794    -7.6981     0.8274	H	1	noname	0.0336
@<TRIPOS>BOND
1	2	1	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	1
9	5	8	1
10	6	10	1
11	6	7	2
12	7	11	1
13	8	12	2
14	9	13	1
15	10	14	1
16	11	15	2
17	11	16	1
18	13	17	2
19	13	18	1
20	14	19	1
21	18	20	1
22	19	21	2
23	19	22	1
24	20	23	3
25	2	24	1
26	3	25	1
27	3	26	1
28	5	27	1
29	9	28	1
30	10	29	1
31	10	30	1
32	16	31	1
33	18	32	1
34	18	33	1
35	22	34	1
36	22	35	1
37	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1