@<TRIPOS>MOLECULE
DB03435
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -4.8248    -2.4670    -2.2573	P	1	noname	0.0669
2	O1    -5.6768    -3.5688    -1.8914	O.2	1	noname	-0.1856
3	O2    -4.5240    -2.5298    -3.7663	O.3	1	noname	-0.0280
4	O3    -5.5334    -1.1394    -1.9299	O.3	1	noname	-0.1456
5	O4    -3.5060    -2.5535    -1.4669	O.3	1	noname	-0.1575
6	P2    -3.8155    -3.8573    -4.0937	P	1	noname	0.0623
7	C1    -4.6932    -0.0530    -2.2906	C.3	1	noname	0.0915
8	O5    -3.5342    -3.9160    -5.5048	O.2	1	noname	-0.1871
9	O6    -2.4966    -3.9438    -3.3034	O.3	1	noname	-0.1585
10	O7    -4.7266    -5.0356    -3.7025	O.3	1	noname	-0.1585
11	C2    -5.3972     1.2659    -1.9654	C.3	1	noname	0.1127
12	O8    -6.6200     1.3462    -2.6982	O.3	1	noname	-0.3509
13	C3    -4.4947     2.4381    -2.3632	C.3	1	noname	0.1124
14	C4    -6.8691     2.7537    -2.6644	C.3	1	noname	0.1509
15	O9    -3.9044     2.9973    -1.1990	O.3	1	noname	-0.3873
16	C5    -5.5040     3.4205    -2.9426	C.3	1	noname	0.1230
17	N1    -8.0090     3.0685    -3.4879	N.3	1	noname	0.0360
18	O10    -5.4256     4.6506    -2.2375	O.3	1	noname	-0.3860
19	C6    -7.9162     3.3398    -4.8436	C.2	1	noname	0.0299
20	C7    -9.2419     3.0472    -2.8544	C.2	1	noname	-0.0415
21	O11    -6.8109     3.3310    -5.4273	O.2	1	noname	-0.2797
22	N2    -9.0717     3.6180    -5.5257	N.3	1	noname	0.0788
23	C8   -10.4579     3.3147    -3.5332	C.2	1	noname	0.0383
24	C9   -10.3047     3.6090    -4.9096	C.2	1	noname	0.0604
25	O12   -11.3214     3.8692    -5.5887	O.2	1	noname	-0.2902
26	H1    -3.6954    -2.5411    -0.5259	H	1	noname	0.2283
27	H2    -3.8177    -0.1362    -1.6468	H	1	noname	0.0605
28	H3    -4.5820    -0.1184    -3.3730	H	1	noname	0.0605
29	H4    -2.6861    -3.9314    -2.3623	H	1	noname	0.2283
30	H5    -4.7753    -5.0985    -2.7458	H	1	noname	0.2283
31	H6    -5.6746     1.3141    -0.9124	H	1	noname	0.0657
32	H7    -3.6412     2.1994    -2.9978	H	1	noname	0.0657
33	H8    -7.2661     3.1101    -1.7139	H	1	noname	0.0816
34	H9    -3.6101     2.2913    -0.6188	H	1	noname	0.2106
35	H10    -5.3198     3.6988    -3.9802	H	1	noname	0.0671
36	H11    -5.4365     4.4793    -1.2929	H	1	noname	0.2107
37	H12    -9.2556     2.8129    -1.7899	H	1	noname	0.0759
38	H13    -9.0129     3.8359    -6.5102	H	1	noname	0.1417
39	H14   -11.4289     3.2958    -3.0384	H	1	noname	0.0685
@<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	6	8	2
8	6	9	1
9	6	10	1
10	11	7	1
11	11	12	1
12	11	13	1
13	12	14	1
14	13	15	1
15	13	16	1
16	14	17	1
17	14	16	1
18	16	18	1
19	17	19	1
20	17	20	1
21	19	21	2
22	19	22	1
23	20	23	2
24	22	24	1
25	23	24	1
26	24	25	2
27	5	26	1
28	7	27	1
29	7	28	1
30	9	29	1
31	10	30	1
32	11	31	1
33	13	32	1
34	14	33	1
35	15	34	1
36	16	35	1
37	18	36	1
38	20	37	1
39	22	38	1
40	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1