@<TRIPOS>MOLECULE
FDBD00170
51 53 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 Cl -1.4858 -5.2796 0.7140 Cl 1 UNK -0.0835
2 O -0.0065 1.0869 0.0987 O.3 1 UNK -0.3642
3 N 4.8531 0.8963 0.7161 N.4 1 UNK 0.2353
4 C 3.6632 0.2873 0.1057 C.3 1 UNK -0.0188
5 C1 3.9651 0.3876 -1.3910 C.3 1 UNK -0.0048
6 C2 5.4856 0.4410 -1.4922 C.3 1 UNK -0.0074
7 C3 5.9828 0.3752 -0.0576 C.3 1 UNK -0.0317
8 C4 2.3656 0.9978 0.4694 C.3 1 UNK 0.0138
9 C5 1.1877 0.4172 -0.2839 C.3 1 UNK 0.0543
10 C6 4.9929 0.5939 2.1354 C.3 1 UNK -0.0428
11 C7 -1.1375 0.5693 -0.5883 C.3 1 UNK 0.1165
12 C8 -1.2269 -0.9237 -0.2557 C.ar 1 UNK -0.0116
13 C9 -2.4062 1.3132 -0.1522 C.ar 1 UNK -0.0117
14 C10 -0.8479 0.8918 -2.0679 C.3 1 UNK -0.0274
15 C11 -1.7608 -1.7749 -1.1942 C.ar 1 UNK -0.0541
16 C12 -0.7691 -1.3526 0.9678 C.ar 1 UNK -0.0541
17 C13 -3.6092 0.9303 -0.6950 C.ar 1 UNK -0.0555
18 C14 -2.2868 2.3315 0.7627 C.ar 1 UNK -0.0555
19 C15 -1.8416 -3.1341 -0.8918 C.ar 1 UNK -0.0430
20 C16 -0.8499 -2.7118 1.2705 C.ar 1 UNK -0.0430
21 C17 -4.7629 1.6067 -0.2985 C.ar 1 UNK -0.0614
22 C18 -3.4405 3.0079 1.1589 C.ar 1 UNK -0.0614
23 C19 -1.3862 -3.6026 0.3407 C.ar 1 UNK 0.0410
24 C20 -4.6785 2.6455 0.6285 C.ar 1 UNK -0.0617
25 H 4.7935 1.9141 0.6848 H 1 UNK 0.2033
26 H1 3.4991 -0.7130 0.4482 H 1 UNK 0.0852
27 H2 3.5307 1.2748 -1.8023 H 1 UNK 0.0322
28 H3 3.5578 -0.4381 -1.9363 H 1 UNK 0.0322
29 H4 5.7990 1.3526 -1.9565 H 1 UNK 0.0319
30 H5 5.8752 -0.3582 -2.0876 H 1 UNK 0.0319
31 H6 6.2078 -0.6322 0.2240 H 1 UNK 0.0814
32 H7 6.8862 0.9272 0.0977 H 1 UNK 0.0814
33 H8 2.4570 2.0357 0.2260 H 1 UNK 0.0342
34 H9 2.1925 0.8672 1.5172 H 1 UNK 0.0342
35 H10 1.3428 0.5406 -1.3354 H 1 UNK 0.0562
36 H11 1.0986 -0.6236 -0.0521 H 1 UNK 0.0562
37 H12 5.0637 -0.4654 2.2691 H 1 UNK 0.0778
38 H13 4.1398 0.9640 2.6646 H 1 UNK 0.0778
39 H14 5.8779 1.0611 2.5141 H 1 UNK 0.0778
40 H15 0.0364 0.3758 -2.3789 H 1 UNK 0.0264
41 H16 -0.7044 1.9460 -2.1817 H 1 UNK 0.0264
42 H17 -1.6747 0.5774 -2.6699 H 1 UNK 0.0264
43 H18 -2.0944 -1.4160 -2.1024 H 1 UNK 0.0622
44 H19 -0.3744 -0.6836 1.6472 H 1 UNK 0.0622
45 H20 -3.6580 0.1601 -1.3802 H 1 UNK 0.0621
46 H21 -1.3648 2.5898 1.1478 H 1 UNK 0.0621
47 H22 -2.2383 -3.7931 -1.5798 H 1 UNK 0.0632
48 H23 -0.5129 -3.0583 2.1823 H 1 UNK 0.0632
49 H24 -5.6789 1.3385 -0.6910 H 1 UNK 0.0618
50 H25 -3.3781 3.7766 1.8446 H 1 UNK 0.0618
51 H26 -5.5320 3.1459 0.9219 H 1 UNK 0.0618
@<TRIPOS>BOND
1 1 23 1
2 2 9 1
3 2 11 1
4 3 4 1
5 3 7 1
6 3 10 1
7 4 5 1
8 4 8 1
9 5 6 1
10 6 7 1
11 8 9 1
12 11 12 1
13 11 13 1
14 11 14 1
15 12 15 ar
16 12 16 ar
17 13 17 ar
18 13 18 ar
19 15 19 ar
20 16 20 ar
21 17 21 ar
22 18 22 ar
23 19 23 ar
24 20 23 ar
25 21 24 ar
26 22 24 ar
27 3 25 1
28 4 26 1
29 5 27 1
30 5 28 1
31 6 29 1
32 6 30 1
33 7 31 1
34 7 32 1
35 8 33 1
36 8 34 1
37 9 35 1
38 9 36 1
39 10 37 1
40 10 38 1
41 10 39 1
42 14 40 1
43 14 41 1
44 14 42 1
45 15 43 1
46 16 44 1
47 17 45 1
48 18 46 1
49 19 47 1
50 20 48 1
51 21 49 1
52 22 50 1
53 24 51 1