@<TRIPOS>MOLECULE
DB07358
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     4.2319    -1.7989    -5.7246	S.3	1	noname	-0.1881
2	C1     4.9102    -1.3155    -4.1833	C.2	1	noname	0.1022
3	C2     4.5777    -0.3252    -6.6349	C.2	1	noname	0.0297
4	N1     5.3739    -0.0608    -4.4071	N.2	1	noname	-0.1979
5	N2     4.9554    -2.0306    -3.0493	N.3	1	noname	-0.0931
6	C3     5.2112     0.4550    -5.6498	C.2	1	noname	0.0386
7	C4     5.5426    -1.4993    -1.8685	C.2	1	noname	0.0952
8	C5     5.6860     1.7999    -5.9619	C.3	1	noname	0.0391
9	O1     6.0334    -0.3501    -1.8382	O.2	1	noname	-0.2745
10	C6     5.5428    -2.3764    -0.6781	C.2	1	noname	-0.0142
11	C7     6.1341    -1.8109     0.4884	C.2	1	noname	0.0224
12	C8     4.9931    -3.6976    -0.6404	C.2	1	noname	0.0175
13	N3     6.6301    -0.5673     0.4334	N.3	1	noname	-0.1441
14	C9     6.2101    -2.5358     1.7101	C.2	1	noname	-0.0450
15	C10     5.0561    -4.4163     0.5831	C.2	1	noname	-0.0407
16	C11     5.6620    -3.8523     1.7431	C.2	1	noname	-0.0072
17	S2     4.3735    -6.0229     0.7663	S.3	1	noname	-0.0614
18	C12     5.3960    -7.1092    -0.1374	C.2	1	noname	0.0357
19	N4     5.2311    -8.4360    -0.0844	N.2	1	noname	-0.1484
20	N5     6.3688    -6.8327    -1.0128	N.3	1	noname	0.0122
21	N6     6.0899    -8.9821    -0.8793	N.2	1	noname	-0.1635
22	C13     6.8060    -8.0148    -1.4678	C.2	1	noname	-0.0020
23	C14     6.8390    -5.5557    -1.3820	C.3	1	noname	-0.0459
24	H1     4.4238     0.0455    -7.6483	H	1	noname	0.0759
25	H2     4.5529    -2.9562    -3.0840	H	1	noname	0.1398
26	H3     5.8772     2.3418    -5.0356	H	1	noname	0.0296
27	H4     6.6068     1.7348    -6.5415	H	1	noname	0.0296
28	H5     4.9283     2.3274    -6.5415	H	1	noname	0.0296
29	H6     4.5371    -4.1461    -1.5230	H	1	noname	0.0643
30	H7     7.6295    -0.4228     0.4126	H	1	noname	0.1243
31	H8     6.0047     0.2254     0.4126	H	1	noname	0.1243
32	H9     6.6737    -2.0963     2.5933	H	1	noname	0.0639
33	H10     5.7066    -4.4334     2.6642	H	1	noname	0.0635
34	H11     7.6067    -8.1639    -2.1923	H	1	noname	0.1036
35	H12     7.0531    -4.9741    -0.4854	H	1	noname	0.0437
36	H13     7.7488    -5.6605    -1.9731	H	1	noname	0.0437
37	H14     6.0785    -5.0454    -1.9731	H	1	noname	0.0437
@<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	6	8	1
9	7	9	2
10	7	10	1
11	10	11	2
12	10	12	1
13	11	13	1
14	11	14	1
15	12	15	2
16	14	16	2
17	15	17	1
18	15	16	1
19	17	18	1
20	18	19	2
21	18	20	1
22	19	21	1
23	20	22	1
24	20	23	1
25	21	22	2
26	3	24	1
27	5	25	1
28	8	26	1
29	8	27	1
30	8	28	1
31	12	29	1
32	13	30	1
33	13	31	1
34	14	32	1
35	16	33	1
36	22	34	1
37	23	35	1
38	23	36	1
39	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1