@<TRIPOS>MOLECULE
DB07389
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2282    -1.6276    -1.5070	O.2	1	noname	-0.2963
2	C1    -0.8558    -0.9577    -0.5195	C.2	1	noname	0.0123
3	N1    -1.5681    -0.9918     0.7669	N.3	1	noname	-0.0777
4	C2     0.3114    -0.0915    -0.5639	C.2	1	noname	-0.0010
5	C3    -2.5859    -2.0105     0.5638	C.3	1	noname	0.0085
6	C4     1.2204    -0.1279     0.5436	C.2	1	noname	-0.0049
7	C5     0.5002     0.7708    -1.6955	C.2	1	noname	-0.0049
8	C6    -3.3179    -2.3665     1.8670	C.3	1	noname	0.0027
9	C7     2.3204     0.7743     0.5521	C.2	1	noname	-0.0031
10	C8     1.6182     1.6652    -1.6905	C.2	1	noname	-0.0031
11	C9    -4.4972    -3.2510     1.7955	C.2	1	noname	-0.0037
12	C10     2.4994     1.6610    -0.5591	C.2	1	noname	0.0086
13	N2    -5.0467    -3.5097     3.0277	N.2	1	noname	-0.2758
14	C11    -5.0866    -3.8189     0.6144	C.2	1	noname	-0.0628
15	C12     3.4920     2.4878    -0.5411	C.1	1	noname	0.0629
16	C13    -6.1574    -4.2956     3.2514	C.2	1	noname	0.0205
17	C14    -6.2400    -4.6386     0.8121	C.2	1	noname	-0.0430
18	N3     4.3740     3.2225    -0.5251	N.1	1	noname	-0.1838
19	N4    -6.6332    -4.5005     4.4872	N.3	1	noname	-0.1193
20	C15    -6.7760    -4.8798     2.1088	C.2	1	noname	-0.0440
21	C16    -6.8867    -5.2456    -0.3476	C.3	1	noname	0.0013
22	H1    -1.3978    -0.4427     1.5973	H	1	noname	0.1313
23	H2    -3.3178    -1.5539    -0.1026	H	1	noname	0.0437
24	H3    -2.0406    -2.8996     0.2472	H	1	noname	0.0437
25	H4     1.0776    -0.8297     1.3653	H	1	noname	0.0631
26	H5    -0.1895     0.7470    -2.5392	H	1	noname	0.0631
27	H6    -2.6011    -2.9327     2.4617	H	1	noname	0.0345
28	H7    -3.7181    -1.4261     2.2459	H	1	noname	0.0345
29	H8     3.0129     0.7860     1.3938	H	1	noname	0.0636
30	H9     1.7949     2.3359    -2.5313	H	1	noname	0.0636
31	H10    -4.6798    -3.6371    -0.3804	H	1	noname	0.0644
32	H11    -5.9963    -4.5778     5.2672	H	1	noname	0.1257
33	H12    -7.6288    -4.5778     4.6386	H	1	noname	0.1257
34	H13    -7.6575    -5.5100     2.2265	H	1	noname	0.0658
35	H14    -6.8396    -6.3313    -0.2630	H	1	noname	0.0279
36	H15    -7.9290    -4.9294    -0.3893	H	1	noname	0.0279
37	H16    -6.3745    -4.9294    -1.2563	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	6	9	1
9	7	10	2
10	8	11	1
11	9	12	2
12	10	12	1
13	11	13	2
14	11	14	1
15	12	15	1
16	13	16	1
17	14	17	2
18	15	18	3
19	16	19	1
20	16	20	2
21	17	21	1
22	17	20	1
23	3	22	1
24	5	23	1
25	5	24	1
26	6	25	1
27	7	26	1
28	8	27	1
29	8	28	1
30	9	29	1
31	10	30	1
32	14	31	1
33	19	32	1
34	19	33	1
35	20	34	1
36	21	35	1
37	21	36	1
38	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1