@<TRIPOS>MOLECULE
DB03133
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.0362     1.2992     0.2823	O.3	1	noname	-0.3591
2	C1     2.9196     2.1980     0.6203	C.3	1	noname	0.1421
3	C2     5.0408     1.0679     1.3017	C.3	1	noname	0.1102
4	C3     1.7168     1.7456    -0.0798	C.2	1	noname	-0.0237
5	C4     2.5012     2.3078     2.1281	C.3	1	noname	0.1158
6	C5     4.4345     0.6100     2.6584	C.3	1	noname	0.1110
7	C6     6.0364     0.0166     0.8073	C.3	1	noname	0.0721
8	N1     1.0851     2.4979    -0.9838	N.2	1	noname	-0.2204
9	N2     1.1014     0.5741     0.1614	N.3	1	noname	-0.0334
10	O2     3.1462     3.4270     2.7180	O.3	1	noname	-0.3870
11	C7     2.9425     1.0169     2.8547	C.3	1	noname	0.1114
12	O3     5.2121     1.1334     3.7251	O.3	1	noname	-0.3874
13	O4     6.6640     0.4801    -0.3792	O.3	1	noname	-0.3934
14	C8     0.0063     1.7874    -1.3270	C.2	1	noname	0.0045
15	C9     0.0133     0.5807    -0.6008	C.2	1	noname	-0.0574
16	O5     2.1029    -0.0584     2.4610	O.3	1	noname	-0.3874
17	C10    -1.0140     2.1148    -2.2627	C.2	1	noname	-0.0122
18	C11    -1.0148    -0.4068    -0.7473	C.2	1	noname	-0.0375
19	C12    -2.0397     1.1358    -2.4296	C.2	1	noname	-0.0476
20	C13    -2.0398    -0.0907    -1.6903	C.2	1	noname	-0.0445
21	C14    -3.1211    -1.0475    -1.9073	C.3	1	noname	-0.0003
22	H1     3.3068     3.1509     0.2596	H	1	noname	0.0714
23	H2     5.5108     2.0440     1.4217	H	1	noname	0.0656
24	H3     1.4381     2.5067     2.2634	H	1	noname	0.0661
25	H4     4.5189    -0.4742     2.7316	H	1	noname	0.0657
26	H5     6.8345    -0.0660     1.5452	H	1	noname	0.0591
27	H6     5.4736    -0.8688     0.5118	H	1	noname	0.0591
28	H7     1.3965    -0.1613     0.7877	H	1	noname	0.1541
29	H8     3.1038     3.3535     3.6742	H	1	noname	0.2107
30	H9     2.7717     1.1718     3.9200	H	1	noname	0.0657
31	H10     5.5839     0.4100     4.2350	H	1	noname	0.2106
32	H11     6.9435    -0.2710    -0.9077	H	1	noname	0.2101
33	H12     1.7592    -0.4986     3.2418	H	1	noname	0.2106
34	H13    -1.0101     3.0542    -2.8156	H	1	noname	0.0646
35	H14    -1.0169    -1.3369    -0.1790	H	1	noname	0.0645
36	H15    -2.8435     1.3297    -3.1397	H	1	noname	0.0626
37	H16    -3.5045    -1.3867    -0.9450	H	1	noname	0.0279
38	H17    -3.9227    -0.5684    -2.4694	H	1	noname	0.0279
39	H18    -2.7432    -1.9015    -2.4694	H	1	noname	0.0279
@<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	2
8	4	9	1
9	5	10	1
10	5	11	1
11	6	12	1
12	6	11	1
13	7	13	1
14	8	14	1
15	9	15	1
16	11	16	1
17	14	17	1
18	14	15	2
19	15	18	1
20	17	19	2
21	18	20	2
22	19	20	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	13	32	1
35	16	33	1
36	17	34	1
37	18	35	1
38	19	36	1
39	21	37	1
40	21	38	1
41	21	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1