@<TRIPOS>MOLECULE
DB07468
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6861    -1.2644     0.5188	O.2	1	noname	-0.2820
2	C1     1.4271    -0.2683    -0.1905	C.2	1	noname	0.1207
3	C2     0.7439    -0.3846    -1.5010	C.2	1	noname	0.0144
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	0.0373
6	C5     0.4668    -1.6738    -2.0302	C.2	1	noname	-0.0029
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	-0.0174
12	C9    -0.1132    -1.7615    -3.3351	C.2	1	noname	-0.0516
13	C10     0.7663    -2.8786    -1.2618	C.3	1	noname	0.0087
14	N2     1.4837     3.4000    -0.1508	N.3	1	noname	0.0016
15	C11     1.2457     3.2875     1.2470	C.3	1	noname	0.0130
16	C12    -0.4578    -0.5749    -4.0643	C.2	1	noname	-0.0296
17	C13     2.7095     3.9008    -0.3563	C.2	1	noname	-0.0301
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     3.2947     1.2091     1.5291	H	1	noname	0.2121
24	H2    -0.0326     1.5510     1.2892	H	1	noname	0.0319
25	H3     1.5272     1.4548     2.3485	H	1	noname	0.0319
26	H4    -0.4805     1.6230    -4.0660	H	1	noname	0.0645
27	H5    -0.2941    -2.7410    -3.7777	H	1	noname	0.0625
28	H6     0.7103    -2.6535    -0.1968	H	1	noname	0.0280
29	H7     0.0424    -3.6556    -1.5075	H	1	noname	0.0280
30	H8     1.7697    -3.2261    -1.5075	H	1	noname	0.0280
31	H9     0.3151     3.8158     1.4544	H	1	noname	0.0440
32	H10     2.1653     3.5852     1.7508	H	1	noname	0.0440
33	H11    -0.9274    -0.6595    -5.0443	H	1	noname	0.0623
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	6	13	1
13	8	14	1
14	8	10	2
15	9	15	1
16	11	16	2
17	12	16	1
18	14	17	1
19	14	15	1
20	17	18	2
21	17	19	1
22	18	20	1
23	19	21	2
24	20	22	2
25	21	22	1
26	7	23	1
27	9	24	1
28	9	25	1
29	11	26	1
30	12	27	1
31	13	28	1
32	13	29	1
33	13	30	1
34	15	31	1
35	15	32	1
36	16	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