@<TRIPOS>MOLECULE
DB02456
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -5.2048    -3.1107    -1.3839	P	1	noname	0.0149
2	O1    -6.2761    -2.2308    -1.7736	O.2	1	noname	-0.1967
3	O2    -4.1470    -2.3146    -0.5973	O.3	1	noname	-0.1525
4	O3    -5.7638    -4.2381    -0.4961	O.3	1	noname	-0.1645
5	O4    -4.5581    -3.7204    -2.6415	O.3	1	noname	-0.1645
6	C1    -3.0907    -3.1823    -0.2130	C.3	1	noname	0.0914
7	C2    -2.0397    -2.3913     0.5685	C.3	1	noname	0.1127
8	O5    -2.6399    -1.8254     1.7357	O.3	1	noname	-0.3509
9	C3    -0.9058    -3.3312     0.9956	C.3	1	noname	0.1124
10	C4    -1.4851    -1.5693     2.5401	C.3	1	noname	0.1503
11	O6     0.2237    -3.1198     0.1614	O.3	1	noname	-0.3873
12	C5    -0.6003    -2.8294     2.4004	C.3	1	noname	0.1230
13	N1    -1.8907    -1.1127     3.8454	N.3	1	noname	0.0201
14	O7    -1.0094    -3.8027     3.3500	O.3	1	noname	-0.3860
15	C6    -2.0355     0.2500     3.9912	C.2	1	noname	-0.0062
16	C7    -2.1650    -1.9744     4.9023	C.2	1	noname	-0.0556
17	O8    -1.7877     1.0907     2.9644	O.3	1	noname	-0.2484
18	N2    -2.4391     0.7242     5.2121	N.2	1	noname	-0.1753
19	C8    -2.5714    -1.5186     6.1836	C.2	1	noname	0.0177
20	C9    -2.6973    -0.1068     6.2793	C.2	1	noname	0.0498
21	N3    -3.0695     0.4190     7.4142	N.2	1	noname	-0.2366
22	H1    -5.6482    -4.0049     0.4279	H	1	noname	0.2283
23	H2    -4.5876    -4.6782    -2.5841	H	1	noname	0.2283
24	H3    -3.5415    -3.9066     0.4654	H	1	noname	0.0605
25	H4    -2.6364    -3.5179    -1.1452	H	1	noname	0.0605
26	H5    -1.6667    -1.5513    -0.0175	H	1	noname	0.0657
27	H6    -1.1005    -4.3996     0.9028	H	1	noname	0.0657
28	H7    -0.9217    -0.6861     2.2391	H	1	noname	0.0816
29	H8     1.0009    -2.9743     0.7058	H	1	noname	0.2106
30	H9     0.4599    -2.6870     2.6095	H	1	noname	0.0671
31	H10    -0.8670    -3.4640     4.2370	H	1	noname	0.2107
32	H11    -2.0577    -3.0438     4.7202	H	1	noname	0.0758
33	H12    -1.5968     0.5819     2.1731	H	1	noname	0.2209
34	H13    -2.7688    -2.1914     7.0181	H	1	noname	0.0672
35	H14    -3.2851    -0.3168     8.0716	H	1	noname	0.1893
@<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	1
17	15	17	1
18	15	18	2
19	16	19	2
20	18	20	1
21	19	20	1
22	20	21	2
23	4	22	1
24	5	23	1
25	6	24	1
26	6	25	1
27	7	26	1
28	9	27	1
29	10	28	1
30	11	29	1
31	12	30	1
32	14	31	1
33	16	32	1
34	17	33	1
35	19	34	1
36	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1