@<TRIPOS>MOLECULE
DB02075
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     6.3800     0.9441     2.1653	P	1	noname	0.0147
2	O1     5.9394     1.7032     3.3069	O.2	1	noname	-0.1967
3	O2     5.2021     0.1223     1.6097	O.3	1	noname	-0.1533
4	O3     6.8938     1.9051     1.0771	O.3	1	noname	-0.1646
5	O4     7.5152    -0.0068     2.5881	O.3	1	noname	-0.1646
6	C1     5.6365    -0.6262     0.4839	C.3	1	noname	0.0804
7	C2     4.4662    -1.4427    -0.0681	C.3	1	noname	0.0608
8	N1     3.3869    -0.5386    -0.4701	N.3	1	noname	-0.3001
9	C3     4.9135    -2.1872    -1.3324	C.3	1	noname	0.0994
10	C4     2.6798    -1.3413    -1.4618	C.3	1	noname	0.0649
11	O5     4.9717    -3.5807    -1.0655	O.3	1	noname	-0.3885
12	C5     3.8059    -1.9092    -2.3383	C.3	1	noname	0.1011
13	C6     1.6326    -0.5367    -2.1275	C.2	1	noname	0.0155
14	O6     3.3801    -3.1310    -2.9232	O.3	1	noname	-0.3882
15	C7     0.5736     0.0508    -1.4498	C.2	1	noname	0.0517
16	C8     1.4768    -0.2056    -3.4810	C.2	1	noname	-0.0765
17	N2     0.2147     0.0442    -0.1250	N.2	1	noname	-0.2282
18	C9    -0.1615     0.7280    -2.4286	C.2	1	noname	0.0439
19	N3     0.3869     0.5665    -3.6384	N.3	1	noname	-0.0310
20	C10    -0.9106     0.7216     0.2568	C.2	1	noname	0.0329
21	C11    -1.3176     1.4288    -2.0286	C.2	1	noname	0.0639
22	N4    -1.6410     1.3899    -0.6950	N.2	1	noname	-0.2034
23	O7    -2.0731     2.1081    -2.9176	O.3	1	noname	-0.2475
24	H1     7.3022     2.6688     1.4915	H	1	noname	0.2283
25	H2     7.5606    -0.0448     3.5462	H	1	noname	0.2283
26	H3     5.9160     0.1132    -0.2666	H	1	noname	0.0594
27	H4     6.3825    -1.3222     0.8677	H	1	noname	0.0594
28	H5     4.0940    -2.1178     0.7025	H	1	noname	0.0517
29	H6     3.1830     0.3963    -0.1470	H	1	noname	0.1233
30	H7     5.9150    -1.9390    -1.6839	H	1	noname	0.0645
31	H8     2.0742    -2.1423    -1.0378	H	1	noname	0.0545
32	H9     4.9777    -3.7248    -0.1164	H	1	noname	0.2106
33	H10     4.0980    -1.2965    -3.1911	H	1	noname	0.0648
34	H11     3.1614    -3.7584    -2.2303	H	1	noname	0.2106
35	H12     2.1210    -0.5098    -4.3060	H	1	noname	0.0793
36	H13     0.0435     0.9538    -4.5057	H	1	noname	0.1524
37	H14    -1.2201     0.7288     1.3019	H	1	noname	0.1062
38	H15    -2.6954     2.6676    -2.4472	H	1	noname	0.2199
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	7	6	1
7	7	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	9	12	1
12	10	13	1
13	10	12	1
14	12	14	1
15	13	15	1
16	13	16	2
17	15	17	2
18	15	18	1
19	16	19	1
20	17	20	1
21	18	21	2
22	18	19	1
23	20	22	2
24	21	23	1
25	21	22	1
26	4	24	1
27	5	25	1
28	6	26	1
29	6	27	1
30	7	28	1
31	8	29	1
32	9	30	1
33	10	31	1
34	11	32	1
35	12	33	1
36	14	34	1
37	16	35	1
38	19	36	1
39	20	37	1
40	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1