@<TRIPOS>MOLECULE
DB02138
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -1.7802    -0.5718     0.2702	P	1	noname	0.0260
2	O1    -3.0834    -1.1340     0.5133	O.2	1	noname	-0.2267
3	O2    -1.1506    -0.1383     1.6071	O.3	1	noname	-0.1817
4	O3    -1.9135     0.6519    -0.6552	O.3	1	noname	-0.1817
5	C1    -0.8186    -1.7033    -0.4493	C.3	1	noname	0.0803
6	C2    -1.9781     0.8354     2.2263	C.3	1	noname	0.0574
7	C3    -2.4941     0.2522    -1.8879	C.3	1	noname	0.0574
8	C4     0.5027    -1.1333    -0.6959	C.2	1	noname	-0.0577
9	C5    -1.3526     1.2661     3.5545	C.3	1	noname	-0.0406
10	C6    -2.6266     1.4680    -2.8072	C.3	1	noname	-0.0406
11	C7     1.4969    -1.2402     0.2696	C.2	1	noname	-0.0554
12	C8     0.7665    -0.4837    -1.8961	C.2	1	noname	-0.0554
13	C9     2.7549    -0.6975     0.0349	C.2	1	noname	-0.0645
14	C10     2.0244     0.0590    -2.1308	C.2	1	noname	-0.0645
15	C11     3.0187    -0.0480    -1.1653	C.2	1	noname	-0.0588
16	C12     4.3400     0.5220    -1.4118	C.3	1	noname	-0.0023
17	H1    -0.6410    -2.5144     0.2568	H	1	noname	0.0468
18	H2    -1.2138    -1.9212    -1.4415	H	1	noname	0.0468
19	H3    -1.9693     1.6940     1.5548	H	1	noname	0.0573
20	H4    -2.9155     0.3239     2.4447	H	1	noname	0.0573
21	H5    -1.7773    -0.4348    -2.3377	H	1	noname	0.0573
22	H6    -3.4973    -0.0934    -1.6383	H	1	noname	0.0573
23	H7    -1.0807     0.3823     4.1316	H	1	noname	0.0254
24	H8    -0.4605     1.8614     3.3598	H	1	noname	0.0254
25	H9    -2.0708     1.8614     4.1182	H	1	noname	0.0254
26	H10    -2.7249     2.3705    -2.2041	H	1	noname	0.0254
27	H11    -1.7399     1.5461    -3.4363	H	1	noname	0.0254
28	H12    -3.5094     1.3533    -3.4363	H	1	noname	0.0254
29	H13     1.2901    -1.7496     1.2108	H	1	noname	0.0625
30	H14    -0.0132    -0.3998    -2.6532	H	1	noname	0.0625
31	H15     3.5345    -0.7814     0.7921	H	1	noname	0.0625
32	H16     2.2313     0.5684    -3.0720	H	1	noname	0.0625
33	H17     4.8281     0.7326    -0.4603	H	1	noname	0.0279
34	H18     4.9417    -0.1877    -1.9796	H	1	noname	0.0279
35	H19     4.2366     1.4467    -1.9796	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	4	7	1
7	5	8	1
8	6	9	1
9	7	10	1
10	8	11	2
11	8	12	1
12	11	13	1
13	12	14	2
14	13	15	2
15	14	15	1
16	15	16	1
17	5	17	1
18	5	18	1
19	6	19	1
20	6	20	1
21	7	21	1
22	7	22	1
23	9	23	1
24	9	24	1
25	9	25	1
26	10	26	1
27	10	27	1
28	10	28	1
29	11	29	1
30	12	30	1
31	13	31	1
32	14	32	1
33	16	33	1
34	16	34	1
35	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1