@<TRIPOS>MOLECULE
DB07058
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -6.9011    -3.0684    -0.0428	S.2	1	noname	-0.0671
2	C1    -5.2383    -2.7435     0.0974	C.2	1	noname	0.0616
3	O1    -4.6333    -1.5439    -0.0854	O.3	1	noname	-0.1491
4	N1    -4.2773    -3.6253     0.4097	N.3	1	noname	0.0658
5	C2    -3.3141    -1.7214     0.1256	C.2	1	noname	0.0433
6	N2    -3.1275    -3.0194     0.4328	N.2	1	noname	-0.2286
7	C3    -2.2964    -0.7604    -0.0553	C.2	1	noname	-0.0030
8	C4    -0.9680    -0.9500     0.4619	C.2	1	noname	0.0052
9	C5    -2.6069     0.2975    -0.9640	C.2	1	noname	-0.0079
10	C6     0.0271    -0.0843    -0.0700	C.2	1	noname	-0.0331
11	C7    -1.6136     1.1673    -1.4634	C.2	1	noname	0.0007
12	N3     1.3529    -0.0270     0.1319	N.3	1	noname	0.0019
13	C8    -0.3011     0.9194    -1.0020	C.2	1	noname	0.0200
14	C9     2.0705    -0.8003     0.9582	C.2	1	noname	-0.0334
15	C10     1.8222     0.9590    -0.6574	C.2	1	noname	-0.0277
16	N4     0.8275     1.5375    -1.3537	N.2	1	noname	-0.2267
17	C11     3.4450    -0.6203     1.0600	C.2	1	noname	-0.0414
18	C12     1.4403    -1.7824     1.7134	C.2	1	noname	-0.0414
19	C13     4.1893    -1.4225     1.9171	C.2	1	noname	-0.0296
20	C14     2.1846    -2.5846     2.5705	C.2	1	noname	-0.0296
21	C15     3.5592    -2.4046     2.6723	C.2	1	noname	-0.0235
22	O2     4.2821    -3.1837     3.5048	O.3	1	noname	-0.2814
23	C16     4.3468    -2.5749     4.7860	C.3	1	noname	0.0423
24	H1    -4.4021    -4.6092     0.6010	H	1	noname	0.1591
25	H2    -0.7298    -1.7043     1.2118	H	1	noname	0.0651
26	H3    -3.6371     0.4462    -1.2875	H	1	noname	0.0631
27	H4    -1.8443     1.9752    -2.1579	H	1	noname	0.0646
28	H5     2.8703     1.2508    -0.7241	H	1	noname	0.1019
29	H6     3.9392     0.1499     0.4678	H	1	noname	0.0643
30	H7     0.3624    -1.9236     1.6335	H	1	noname	0.0643
31	H8     5.2672    -1.2813     1.9970	H	1	noname	0.0650
32	H9     1.6905    -3.3548     3.1627	H	1	noname	0.0650
33	H10     4.3855    -3.3476     5.5539	H	1	noname	0.0535
34	H11     5.2410    -1.9549     4.8490	H	1	noname	0.0535
35	H12     3.4633    -1.9549     4.9387	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	5	6	2
8	7	8	2
9	7	9	1
10	8	10	1
11	9	11	2
12	10	12	1
13	10	13	2
14	11	13	1
15	12	14	1
16	12	15	1
17	13	16	1
18	14	17	2
19	14	18	1
20	15	16	2
21	17	19	1
22	18	20	2
23	19	21	2
24	20	21	1
25	21	22	1
26	22	23	1
27	4	24	1
28	8	25	1
29	9	26	1
30	11	27	1
31	15	28	1
32	17	29	1
33	18	30	1
34	19	31	1
35	20	32	1
36	23	33	1
37	23	34	1
38	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1