@<TRIPOS>MOLECULE
DB06928
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -0.6835    -1.9167    -0.1844	I	1	noname	-0.0443
2	C1     0.0996    -0.0287    -0.0268	C.2	1	noname	-0.0252
3	C2    -0.6500     1.0704    -0.4295	C.2	1	noname	-0.0349
4	C3     1.3801     0.1523     0.4828	C.2	1	noname	-0.0349
5	C4    -0.1190     2.3506    -0.3226	C.2	1	noname	-0.0462
6	C5     1.9110     1.4324     0.5897	C.2	1	noname	-0.0462
7	C6     1.1615     2.5316     0.1870	C.2	1	noname	-0.0474
8	C7     1.7191     3.8762     0.2993	C.3	1	noname	0.0552
9	P1     2.5177     4.2584    -1.0931	P	1	noname	0.0216
10	O1     3.0678     5.5846    -0.9824	O.2	1	noname	-0.2620
11	O2     1.5360     4.2072    -2.2785	O.3	1	noname	-0.2211
12	C8     3.7378     3.1760    -1.3423	C.3	1	noname	0.0425
13	C9     4.4783     3.5304    -2.6334	C.3	1	noname	0.0561
14	C10     3.5030     3.4795    -3.8111	C.2	1	noname	0.1368
15	C11     5.5580     2.5726    -2.8538	C.3	1	noname	-0.0310
16	O3     3.2992     4.5034    -4.4985	O.2	1	noname	-0.2545
17	O4     2.8625     2.3288    -4.1078	O.3	1	noname	-0.2178
18	C12     6.2985     2.9271    -4.1449	C.3	1	noname	0.0343
19	C13     7.3781     1.9693    -4.3654	C.2	1	noname	0.1348
20	O5     8.1130     2.0763    -5.3708	O.2	1	noname	-0.2559
21	O6     7.5827     0.9680    -3.4833	O.3	1	noname	-0.2189
22	H1    -1.6541     0.9285    -0.8291	H	1	noname	0.0633
23	H2     1.9678    -0.7096     0.7986	H	1	noname	0.0633
24	H3    -0.7068     3.2125    -0.6384	H	1	noname	0.0626
25	H4     2.9151     1.5744     0.9893	H	1	noname	0.0626
26	H5     0.8503     4.5272     0.3966	H	1	noname	0.0443
27	H6     2.4422     3.8072     1.1119	H	1	noname	0.0443
28	H7     1.3512     3.2920    -2.5017	H	1	noname	0.2237
29	H8     4.4693     3.3017    -0.5440	H	1	noname	0.0401
30	H9     3.2907     2.1985    -1.5228	H	1	noname	0.0401
31	H10     4.9381     4.5157    -2.5560	H	1	noname	0.0416
32	H11     6.2543     2.7102    -2.0266	H	1	noname	0.0280
33	H12     5.0757     1.6070    -3.0054	H	1	noname	0.0280
34	H13     2.6140     1.8821    -3.2952	H	1	noname	0.2213
35	H14     5.6022     2.7895    -4.9721	H	1	noname	0.0372
36	H15     6.7808     3.8927    -3.9933	H	1	noname	0.0372
37	H16     7.5128     1.3101    -2.5890	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	1
10	9	10	2
11	9	11	1
12	9	12	1
13	13	12	1
14	13	14	1
15	13	15	1
16	14	16	2
17	14	17	1
18	15	18	1
19	18	19	1
20	19	20	2
21	19	21	1
22	3	22	1
23	4	23	1
24	5	24	1
25	6	25	1
26	8	26	1
27	8	27	1
28	11	28	1
29	12	29	1
30	12	30	1
31	13	31	1
32	15	32	1
33	15	33	1
34	17	34	1
35	18	35	1
36	18	36	1
37	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1