@<TRIPOS>MOLECULE
DB07207
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.7602     4.0521    -0.7591	O.3	1	noname	-0.2627
2	C1     3.3846     3.0979    -0.0366	C.2	1	noname	0.0810
3	C2     4.5398     3.2141     0.7159	C.2	1	noname	-0.0484
4	C3     3.0185     1.7672     0.1268	C.2	1	noname	0.0959
5	N1     4.8687     1.9769     1.1502	N.3	1	noname	-0.0371
6	C4     5.2354     4.3888     0.9775	C.2	1	noname	-0.0305
7	N2     4.0041     1.0914     0.7448	N.2	1	noname	-0.2816
8	C5     1.7243     1.2662    -0.0578	C.2	1	noname	-0.0092
9	C6     6.3879     4.3558     1.7539	C.2	1	noname	-0.0385
10	C7     4.7786     5.5964     0.4627	C.2	1	noname	-0.0385
11	N3     1.3517    -0.0328    -0.0417	N.2	1	noname	-0.2027
12	N4     0.6560     2.0942    -0.0064	N.3	1	noname	-0.0110
13	C8     7.0835     5.5304     2.0156	C.2	1	noname	-0.0537
14	C9     5.4742     6.7710     0.7243	C.2	1	noname	-0.0537
15	C10     0.0121    -0.0196     0.0113	C.2	1	noname	0.0229
16	C11    -0.4239     1.3222     0.0648	C.2	1	noname	-0.0422
17	C12     6.6267     6.7381     1.5008	C.2	1	noname	-0.0562
18	C13    -0.9089    -1.1016     0.0219	C.2	1	noname	0.0135
19	C14    -1.7941     1.6856     0.1763	C.2	1	noname	-0.0241
20	C15    -2.2931    -0.7604     0.1182	C.2	1	noname	-0.0083
21	C16    -2.7249     0.6021     0.2031	C.2	1	noname	-0.0231
22	C17    -3.2224    -1.7533     0.1295	C.2	1	noname	-0.0741
23	N5    -4.4616    -1.4657     0.2150	N.2	1	noname	-0.2743
24	N6    -2.8443    -3.0052     0.0526	N.3	1	noname	-0.1372
25	H1     2.3470     4.6836    -0.1658	H	1	noname	0.2183
26	H2     5.6717     1.7402     1.7152	H	1	noname	0.1756
27	H3     6.7461     3.4088     2.1576	H	1	noname	0.0629
28	H4     3.8749     5.6223    -0.1462	H	1	noname	0.0629
29	H5     0.6633     3.1041    -0.0188	H	1	noname	0.1544
30	H6     7.9872     5.5046     2.6244	H	1	noname	0.0622
31	H7     5.1160     7.7180     0.3206	H	1	noname	0.0622
32	H8     7.1721     7.6592     1.7059	H	1	noname	0.0622
33	H9    -0.5721    -2.1363    -0.0405	H	1	noname	0.0653
34	H10    -2.1102     2.7270     0.2372	H	1	noname	0.0643
35	H11    -3.7893     0.8199     0.2904	H	1	noname	0.0630
36	H12    -4.7266    -1.4042     1.1876	H	1	noname	0.1888
37	H13    -3.5359    -3.7407     0.0229	H	1	noname	0.1257
38	H14    -1.8612    -3.2349     0.0229	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	4	8	1
8	5	7	1
9	6	9	2
10	6	10	1
11	8	11	2
12	8	12	1
13	9	13	1
14	10	14	2
15	11	15	1
16	12	16	1
17	13	17	2
18	14	17	1
19	15	18	1
20	15	16	2
21	16	19	1
22	18	20	2
23	19	21	2
24	20	22	1
25	20	21	1
26	22	23	2
27	22	24	1
28	1	25	1
29	5	26	1
30	9	27	1
31	10	28	1
32	12	29	1
33	13	30	1
34	14	31	1
35	17	32	1
36	18	33	1
37	19	34	1
38	21	35	1
39	23	36	1
40	24	37	1
41	24	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1