@<TRIPOS>MOLECULE
DB04133
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -4.7765    -3.5172    -1.0374	S.3	1	noname	-0.1360
2	C1    -3.9311    -3.8929    -2.6354	C.3	1	noname	0.0806
3	C2    -6.4338    -4.3412    -1.1532	C.3	1	noname	0.0178
4	N1    -4.2374    -5.2388    -3.0007	N.3	1	noname	-0.1154
5	C3    -2.4434    -3.4305    -2.7771	C.3	1	noname	0.0946
6	C4    -6.4400    -5.4439    -2.0900	C.2	1	noname	-0.0027
7	C5    -5.4248    -5.8076    -2.8905	C.2	1	noname	-0.0115
8	N2    -1.5491    -3.7671    -1.6545	N.3	1	noname	-0.0700
9	C6    -1.8881    -3.9353    -4.1276	C.2	1	noname	0.1368
10	C7    -7.6390    -6.2189    -2.1710	C.3	1	noname	-0.0410
11	C8    -5.6455    -6.8910    -3.6825	C.2	1	noname	0.0932
12	C9    -0.6699    -2.6044    -1.4519	C.2	1	noname	0.0432
13	O1    -1.4815    -3.1377    -4.9564	O.2	1	noname	-0.2986
14	O2    -5.0743    -6.9818    -4.7906	O.2	1	noname	-0.2542
15	O3    -6.4814    -7.8682    -3.2719	O.3	1	noname	-0.2150
16	O4    -0.7159    -1.5357    -2.0987	O.2	1	noname	-0.2944
17	C10     0.3085    -2.9183    -0.3205	C.3	1	noname	0.0558
18	C11     1.5099    -2.0811    -0.4565	C.2	1	noname	0.0182
19	S2     2.7544    -2.1969    -1.6828	S.3	1	noname	-0.2228
20	C12     1.9066    -1.0153     0.3496	C.2	1	noname	-0.0219
21	C13     3.7645    -0.8368    -1.1986	C.2	1	noname	0.0103
22	C14     3.0975    -0.3641    -0.0622	C.2	1	noname	-0.0267
23	H1    -4.2242    -3.4499    -3.5872	H	1	noname	0.0607
24	H2    -6.6710    -4.8508    -0.2192	H	1	noname	0.0428
25	H3    -7.1617    -3.6688    -1.6072	H	1	noname	0.0428
26	H4    -3.5353    -5.8581    -3.3796	H	1	noname	0.1295
27	H5    -2.4117    -2.3434    -2.7051	H	1	noname	0.0574
28	H6    -1.5403    -4.6280    -1.1263	H	1	noname	0.1318
29	H7    -1.7733    -4.9415    -4.5307	H	1	noname	0.1059
30	H8    -7.9926    -6.4474    -1.1656	H	1	noname	0.0277
31	H9    -8.4023    -5.6525    -2.7046	H	1	noname	0.0277
32	H10    -7.4361    -7.1474    -2.7046	H	1	noname	0.0277
33	H11    -6.5006    -7.8907    -2.3123	H	1	noname	0.2217
34	H12    -0.1655    -2.6159     0.6133	H	1	noname	0.0419
35	H13     0.6417    -3.9475    -0.4543	H	1	noname	0.0419
36	H14     1.3340    -0.7166     1.2277	H	1	noname	0.0634
37	H15     4.6756    -0.3547    -1.5529	H	1	noname	0.0739
38	H16     3.4951     0.4890     0.4877	H	1	noname	0.0631
@<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	5	8	1
8	5	9	1
9	6	10	1
10	6	7	2
11	7	11	1
12	8	12	1
13	9	13	2
14	11	14	2
15	11	15	1
16	12	16	2
17	12	17	1
18	17	18	1
19	18	19	1
20	18	20	2
21	19	21	1
22	20	22	1
23	21	22	2
24	2	23	1
25	3	24	1
26	3	25	1
27	4	26	1
28	5	27	1
29	8	28	1
30	9	29	1
31	10	30	1
32	10	31	1
33	10	32	1
34	15	33	1
35	17	34	1
36	17	35	1
37	20	36	1
38	21	37	1
39	22	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1