@<TRIPOS>MOLECULE
DB04265
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.3447     0.0706     3.3461	O.2	1	noname	-0.2335
2	C1    -1.5662    -0.0876     2.1261	C.2	1	noname	0.1662
3	O2    -2.5044    -0.9689     1.7192	O.3	1	noname	-0.2014
4	C2    -0.7784     0.7131     1.0996	C.3	1	noname	0.2572
5	O3     0.6507     0.4405     1.2150	O.3	1	noname	-0.3337
6	O4    -1.0899     2.0847     1.3497	O.3	1	noname	-0.3575
7	C3    -1.3085     0.2617    -0.2897	C.3	1	noname	0.0393
8	C4     1.4853     1.1732     0.2565	C.3	1	noname	0.1083
9	C5    -0.4944     1.0005    -1.3855	C.3	1	noname	0.0781
10	C6     1.0418     0.8718    -1.2002	C.3	1	noname	0.0692
11	C7     2.9487     0.7657     0.4387	C.3	1	noname	0.1101
12	O5    -0.8604     0.5021    -2.6638	O.3	1	noname	-0.3910
13	N1     1.6973     1.7542    -2.0832	N.3	1	noname	-0.0755
14	O6     3.3648     1.0738     1.7610	O.3	1	noname	-0.3874
15	C8     3.8192     1.5298    -0.5609	C.3	1	noname	0.1056
16	C9     1.9754     1.3656    -3.3351	C.2	1	noname	0.0379
17	O7     5.1774     1.1516    -0.3918	O.3	1	noname	-0.3878
18	C10     3.6745     3.0334    -0.3181	C.3	1	noname	0.0718
19	O8     2.5565     2.1479    -4.1179	O.2	1	noname	-0.2975
20	C11     1.5996     0.0284    -3.7848	C.3	1	noname	0.0095
21	O9     4.4824     3.7426    -1.2459	O.3	1	noname	-0.3934
22	H1    -2.9257    -1.3646     2.4858	H	1	noname	0.2215
23	H2    -1.1245     2.2374     2.2969	H	1	noname	0.2141
24	H3    -1.0843    -0.8005    -0.3876	H	1	noname	0.0355
25	H4    -2.3382     0.6109    -0.3677	H	1	noname	0.0355
26	H5     1.3495     2.2296     0.4880	H	1	noname	0.0650
27	H6    -0.7695     2.0552    -1.3877	H	1	noname	0.0619
28	H7     1.3735    -0.1239    -1.4947	H	1	noname	0.0524
29	H8     3.0776    -0.3119     0.3365	H	1	noname	0.0656
30	H9    -0.8554    -0.4578    -2.6465	H	1	noname	0.2105
31	H10     1.9743     2.6870    -1.8125	H	1	noname	0.1315
32	H11     3.5175     0.2598     2.2463	H	1	noname	0.2106
33	H12     3.5694     1.2667    -1.5888	H	1	noname	0.0652
34	H13     5.3796     1.0952     0.5450	H	1	noname	0.2106
35	H14     2.6478     3.3158    -0.5512	H	1	noname	0.0591
36	H15     4.0924     3.2588     0.6630	H	1	noname	0.0591
37	H16     1.4204    -0.6091    -2.9190	H	1	noname	0.0324
38	H17     0.6921     0.0887    -4.3855	H	1	noname	0.0324
39	H18     2.4056    -0.3928    -4.3855	H	1	noname	0.0324
40	H19     5.1089     4.2926    -0.7698	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	4	7	1
7	8	5	1
8	7	9	1
9	8	10	1
10	8	11	1
11	9	12	1
12	9	10	1
13	10	13	1
14	11	14	1
15	11	15	1
16	13	16	1
17	15	17	1
18	15	18	1
19	16	19	2
20	16	20	1
21	18	21	1
22	3	22	1
23	6	23	1
24	7	24	1
25	7	25	1
26	8	26	1
27	9	27	1
28	10	28	1
29	11	29	1
30	12	30	1
31	13	31	1
32	14	32	1
33	15	33	1
34	17	34	1
35	18	35	1
36	18	36	1
37	20	37	1
38	20	38	1
39	20	39	1
40	21	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1