@MOLECULE FDBD00612 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 Cl -5.8219 1.6299 -0.3909 Cl 1 UNK -0.0835 2 O 0.7631 1.0270 0.0388 O.3 1 UNK -0.3606 3 N 4.4195 1.4385 -0.1780 N.4 1 UNK 0.2325 4 N1 0.0061 -1.5946 -1.1102 N.ar 1 UNK -0.2569 5 C -0.1144 0.0809 0.6342 C.3 1 UNK 0.1256 6 C1 2.1254 0.6881 0.2629 C.3 1 UNK 0.0888 7 C2 3.0049 1.7375 -0.3979 C.3 1 UNK -0.0084 8 C3 -1.5544 0.4725 0.3761 C.ar 1 UNK -0.0130 9 C4 0.2005 -1.3350 0.1915 C.ar 1 UNK 0.0744 10 C5 -2.5230 0.1294 1.3022 C.ar 1 UNK -0.0544 11 C6 -1.8684 1.1637 -0.7807 C.ar 1 UNK -0.0544 12 C7 0.6512 -2.2300 1.1315 C.ar 1 UNK -0.0375 13 C8 4.7124 1.3780 1.2535 C.3 1 UNK -0.0433 14 C9 5.2612 2.4408 -0.8301 C.3 1 UNK -0.0433 15 C10 -3.8495 0.4891 1.0640 C.ar 1 UNK -0.0430 16 C11 -3.1948 1.5236 -1.0190 C.ar 1 UNK -0.0430 17 C12 -4.1855 1.1864 -0.0966 C.ar 1 UNK 0.0410 18 C13 0.9308 -3.5197 0.6933 C.ar 1 UNK -0.0585 19 C14 0.2883 -2.8583 -1.4991 C.ar 1 UNK 0.0280 20 C15 0.7486 -3.8479 -0.6456 C.ar 1 UNK -0.0436 21 H 4.6249 0.5277 -0.5886 H 1 UNK 0.2028 22 H1 0.0367 0.0921 1.6934 H 1 UNK 0.0712 23 H2 2.3316 -0.2727 -0.1605 H 1 UNK 0.0614 24 H3 2.3244 0.6554 1.3137 H 1 UNK 0.0614 25 H4 2.8077 1.7496 -1.4495 H 1 UNK 0.0837 26 H5 2.7839 2.6921 0.0320 H 1 UNK 0.0837 27 H6 -2.2674 -0.3863 2.1588 H 1 UNK 0.0622 28 H7 -1.1304 1.4099 -1.4588 H 1 UNK 0.0622 29 H8 0.7766 -1.9572 2.1189 H 1 UNK 0.0636 30 H9 4.5021 2.3269 1.7010 H 1 UNK 0.0777 31 H10 5.7451 1.1373 1.3964 H 1 UNK 0.0777 32 H11 4.1042 0.6256 1.7105 H 1 UNK 0.0777 33 H12 5.0585 3.4041 -0.4108 H 1 UNK 0.0777 34 H13 5.0496 2.4566 -1.8788 H 1 UNK 0.0777 35 H14 6.2914 2.1951 -0.6778 H 1 UNK 0.0777 36 H15 -4.5823 0.2394 1.7464 H 1 UNK 0.0632 37 H16 -3.4432 2.0393 -1.8777 H 1 UNK 0.0632 38 H17 1.2722 -4.2305 1.3591 H 1 UNK 0.0619 39 H18 0.1525 -3.1008 -2.4930 H 1 UNK 0.0829 40 H19 0.9499 -4.7987 -0.9927 H 1 UNK 0.0633 @BOND 1 1 17 1 2 2 5 1 3 2 6 1 4 3 7 1 5 3 13 1 6 3 14 1 7 4 9 ar 8 4 19 ar 9 5 8 1 10 5 9 1 11 6 7 1 12 8 10 ar 13 8 11 ar 14 9 12 ar 15 10 15 ar 16 11 16 ar 17 12 18 ar 18 15 17 ar 19 16 17 ar 20 18 20 ar 21 19 20 ar 22 3 21 1 23 5 22 1 24 6 23 1 25 6 24 1 26 7 25 1 27 7 26 1 28 10 27 1 29 11 28 1 30 12 29 1 31 13 30 1 32 13 31 1 33 13 32 1 34 14 33 1 35 14 34 1 36 14 35 1 37 15 36 1 38 16 37 1 39 18 38 1 40 19 39 1 41 20 40 1