@<TRIPOS>MOLECULE
DB02802
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.6986     6.3532     3.7658	O.2	1	noname	-0.1443
2	N1     0.9986     5.2929     3.3877	N.2	1	noname	-0.0118
3	O2     1.2352     4.3687     4.2183	O.3	1	noname	-0.1443
4	C1     1.0905     5.0587     2.1072	C.2	1	noname	0.0570
5	C2     1.4567     3.7655     1.6291	C.2	1	noname	0.0674
6	C3     0.8245     6.0996     1.1505	C.2	1	noname	0.0500
7	C4     1.5935     3.5448     0.2115	C.2	1	noname	0.0419
8	C5     0.8441     5.8587    -0.2608	C.2	1	noname	0.0205
9	O3     2.2193     2.3981    -0.2413	O.3	1	noname	-0.2484
10	C6     1.2008     4.5654    -0.7375	C.2	1	noname	0.0387
11	C7     0.5263     6.8517    -1.1341	C.2	1	noname	0.0022
12	C8     3.6988     2.5069    -0.2944	C.3	1	noname	0.1922
13	O4     1.0727     6.8739    -2.3355	O.3	1	noname	-0.2619
14	N2    -0.2993     7.7612    -0.7923	N.2	1	noname	-0.2380
15	O5     4.2619     1.1697    -0.5800	O.3	1	noname	-0.3409
16	C9     4.1848     3.6549    -1.2719	C.3	1	noname	0.1338
17	C10     5.4372     1.0252    -1.4340	C.3	1	noname	0.1124
18	O6     3.2202     4.6968    -1.2951	O.3	1	noname	-0.3849
19	C11     4.3169     3.0474    -2.6785	C.3	1	noname	0.1134
20	C12     5.3865     1.9164    -2.7121	C.3	1	noname	0.1112
21	C13     6.6958     1.3576    -0.6301	C.3	1	noname	0.0722
22	O7     4.6748     4.0650    -3.6020	O.3	1	noname	-0.3873
23	O8     6.6675     2.4832    -2.9450	O.3	1	noname	-0.3874
24	O9     6.8006     0.4701     0.4735	O.3	1	noname	-0.3934
25	H1     1.6298     2.9561     2.3383	H	1	noname	0.0674
26	H2     0.6004     7.1049     1.5071	H	1	noname	0.0654
27	H3     1.1737     4.3606    -1.8077	H	1	noname	0.0658
28	H4     4.0545     2.7534     0.7060	H	1	noname	0.0956
29	H5     1.2114     5.9743    -2.6406	H	1	noname	0.2199
30	H6    -0.3457     7.8124     0.2154	H	1	noname	0.1898
31	H7     5.1025     4.1517    -0.9572	H	1	noname	0.0682
32	H8     5.4121    -0.0248    -1.7256	H	1	noname	0.0657
33	H9     2.9928     4.9424    -0.3953	H	1	noname	0.2108
34	H10     3.3482     2.6777    -3.0146	H	1	noname	0.0658
35	H11     5.1784     1.2758    -3.5691	H	1	noname	0.0657
36	H12     7.5623     1.1460    -1.2566	H	1	noname	0.0591
37	H13     6.5667     2.3486    -0.1951	H	1	noname	0.0591
38	H14     4.9508     4.8495    -3.1225	H	1	noname	0.2106
39	H15     7.0919     2.6710    -2.1047	H	1	noname	0.2106
40	H16     6.7708    -0.4364     0.1591	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	1
9	7	10	2
10	8	11	1
11	8	10	1
12	12	9	1
13	11	13	1
14	11	14	2
15	12	15	1
16	12	16	1
17	15	17	1
18	16	18	1
19	16	19	1
20	17	20	1
21	17	21	1
22	19	22	1
23	19	20	1
24	20	23	1
25	21	24	1
26	5	25	1
27	6	26	1
28	10	27	1
29	12	28	1
30	13	29	1
31	14	30	1
32	16	31	1
33	17	32	1
34	18	33	1
35	19	34	1
36	20	35	1
37	21	36	1
38	21	37	1
39	22	38	1
40	23	39	1
41	24	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1