@<TRIPOS>MOLECULE
DB07469
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6861    -1.2644     0.5188	O.2	1	noname	-0.2823
2	C1     1.4271    -0.2683    -0.1905	C.2	1	noname	0.1196
3	C2     0.7439    -0.3846    -1.5010	C.2	1	noname	0.0126
4	C3     1.7990     1.1786     0.2407	C.3	1	noname	0.1813
5	C4     0.4512     0.8131    -2.2611	C.2	1	noname	0.0379
6	C5     0.4668    -1.6738    -2.0302	C.2	1	noname	-0.0064
7	O2     3.1941     1.2070     0.5744	O.3	1	noname	-0.3744
8	C6     1.4017     2.2120    -0.6919	C.2	1	noname	-0.0095
9	C7     1.0265     1.7659     1.4317	C.3	1	noname	0.0040
10	N1     0.7969     2.0155    -1.8118	N.2	1	noname	-0.2141
11	C8    -0.1944     0.7214    -3.5244	C.2	1	noname	-0.0125
12	C9    -0.1132    -1.7615    -3.3351	C.2	1	noname	-0.0502
13	N2     1.4837     3.4000    -0.1508	N.3	1	noname	0.0016
14	C10     1.2457     3.2875     1.2470	C.3	1	noname	0.0130
15	C11    -0.4578    -0.5749    -4.0643	C.2	1	noname	-0.0248
16	C12     2.7095     3.9008    -0.3563	C.2	1	noname	-0.0301
17	C13    -1.0866    -0.6937    -5.3766	C.3	1	noname	0.0026
18	C14     2.9700     4.6560    -1.4938	C.2	1	noname	-0.0567
19	C15     3.7205     3.6651     0.5681	C.2	1	noname	-0.0567
20	C16     4.2416     5.1755    -1.7069	C.2	1	noname	-0.0625
21	C17     4.9920     4.1845     0.3549	C.2	1	noname	-0.0625
22	C18     5.2526     4.9397    -0.7826	C.2	1	noname	-0.0824
23	H1     0.6925    -2.5697    -1.4519	H	1	noname	0.0631
24	H2     3.2947     1.2091     1.5291	H	1	noname	0.2121
25	H3    -0.0326     1.5510     1.2892	H	1	noname	0.0319
26	H4     1.5272     1.4548     2.3485	H	1	noname	0.0319
27	H5    -0.4805     1.6230    -4.0660	H	1	noname	0.0648
28	H6    -0.2941    -2.7410    -3.7777	H	1	noname	0.0625
29	H7     0.3151     3.8158     1.4544	H	1	noname	0.0440
30	H8     2.1653     3.5852     1.7508	H	1	noname	0.0440
31	H9    -1.2070    -1.7475    -5.6277	H	1	noname	0.0279
32	H10    -2.0638    -0.2112    -5.3563	H	1	noname	0.0279
33	H11    -0.4586    -0.2112    -6.1255	H	1	noname	0.0279
34	H12     2.1772     4.8409    -2.2186	H	1	noname	0.0639
35	H13     3.5162     3.0729     1.4601	H	1	noname	0.0639
36	H14     4.4459     5.7677    -2.5989	H	1	noname	0.0623
37	H15     5.7848     3.9997     1.0797	H	1	noname	0.0623
38	H16     6.2497     5.3471    -0.9498	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	4	9	1
9	5	10	1
10	5	11	1
11	6	12	2
12	8	13	1
13	8	10	2
14	9	14	1
15	11	15	2
16	12	15	1
17	13	16	1
18	13	14	1
19	15	17	1
20	16	18	2
21	16	19	1
22	18	20	1
23	19	21	2
24	20	22	2
25	21	22	1
26	6	23	1
27	7	24	1
28	9	25	1
29	9	26	1
30	11	27	1
31	12	28	1
32	14	29	1
33	14	30	1
34	17	31	1
35	17	32	1
36	17	33	1
37	18	34	1
38	19	35	1
39	20	36	1
40	21	37	1
41	22	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1