@<TRIPOS>MOLECULE
DB01280
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.2243    -1.5016     1.6803	O.3	1	noname	-0.3483
2	C1     3.3441    -0.4448     1.3376	C.3	1	noname	0.1590
3	C2     5.0977    -1.5428     0.5782	C.3	1	noname	0.1117
4	N1     2.4343    -0.1791     2.4084	N.3	1	noname	0.0411
5	C3     4.2578     0.6892     0.8676	C.3	1	noname	0.1258
6	C4     5.3543    -0.0955     0.1529	C.3	1	noname	0.1126
7	C5     6.4178    -2.1927     0.9977	C.3	1	noname	0.0722
8	C6     1.6003    -1.0973     2.9463	C.2	1	noname	0.1336
9	C7     2.2480     0.9803     3.1092	C.2	1	noname	-0.0321
10	O2     4.8089     1.3518     1.9962	O.3	1	noname	-0.3857
11	O3     5.1821     0.0227    -1.2517	O.3	1	noname	-0.3873
12	O4     6.1704    -3.5140     1.4553	O.3	1	noname	-0.3934
13	N2     1.3631    -2.4074     2.6330	N.2	1	noname	-0.2374
14	C8     0.9595    -0.4461     4.0106	C.2	1	noname	0.0075
15	N3     1.3468     0.8217     4.0934	N.2	1	noname	-0.2181
16	C9     0.4811    -3.1273     3.4029	C.2	1	noname	0.0889
17	C10     0.0620    -1.1913     4.7994	C.2	1	noname	0.0982
18	N4    -0.1311    -2.4989     4.4605	N.2	1	noname	-0.2337
19	N5     0.2238    -4.4134     3.1282	N.3	1	noname	-0.0785
20	O5    -0.5809    -0.6349     5.8480	O.3	1	noname	-0.2307
21	C11     0.2002    -0.7976     7.0226	C.3	1	noname	0.0441
22	H1     2.6236    -0.7242     0.5689	H	1	noname	0.0853
23	H2     4.6029    -2.1329    -0.1932	H	1	noname	0.0656
24	H3     3.7880     1.4936     0.3016	H	1	noname	0.0674
25	H4     6.3674     0.2662     0.3286	H	1	noname	0.0657
26	H5     7.0370    -2.3044     0.1076	H	1	noname	0.0591
27	H6     6.8003    -1.6520     1.8634	H	1	noname	0.0591
28	H7     2.7587     1.9217     2.9068	H	1	noname	0.1016
29	H8     5.1183     0.7006     2.6300	H	1	noname	0.2107
30	H9     5.1342    -0.8526    -1.6430	H	1	noname	0.2106
31	H10     6.1683    -3.5251     2.4152	H	1	noname	0.2101
32	H11    -0.7309    -4.7264     3.0247	H	1	noname	0.1273
33	H12     0.9845    -5.0696     3.0247	H	1	noname	0.1273
34	H13     0.3348    -1.8601     7.2251	H	1	noname	0.0535
35	H14     1.1738    -0.3288     6.8795	H	1	noname	0.0535
36	H15    -0.3085    -0.3288     7.8650	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	4	9	1
9	5	10	1
10	5	6	1
11	6	11	1
12	7	12	1
13	8	13	2
14	8	14	1
15	9	15	2
16	13	16	1
17	14	17	2
18	14	15	1
19	16	18	2
20	16	19	1
21	17	20	1
22	17	18	1
23	20	21	1
24	2	22	1
25	3	23	1
26	5	24	1
27	6	25	1
28	7	26	1
29	7	27	1
30	9	28	1
31	10	29	1
32	11	30	1
33	12	31	1
34	19	32	1
35	19	33	1
36	21	34	1
37	21	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1