@MOLECULE FDBD02344 49 50 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0723 1.7012 -0.0188 C.3 1 UNK -0.0560 2 C1 0.1951 0.1779 0.0546 C.3 1 UNK -0.0127 3 C2 1.0137 -0.2090 1.2879 C.3 1 UNK -0.0560 4 C3 -1.2002 -0.4421 0.1535 C.3 1 UNK -0.0560 5 C4 0.8840 -0.3308 -1.1855 C.ar 1 UNK -0.0420 6 C5 0.2334 -1.2171 -2.0233 C.ar 1 UNK -0.0578 7 C6 0.8654 -1.6837 -3.1608 C.ar 1 UNK -0.0575 8 C7 2.1478 -1.2637 -3.4606 C.ar 1 UNK -0.0372 9 C8 2.7981 -0.3767 -2.6232 C.ar 1 UNK -0.0575 10 C9 2.1645 0.0933 -1.4880 C.ar 1 UNK -0.0578 11 C10 2.8371 -1.7731 -4.7001 C.3 1 UNK 0.0235 12 S 2.4761 -0.6691 -6.0882 S.3 1 UNK -0.1171 13 C11 3.4993 -1.3913 -7.3276 C.2 1 UNK 0.0602 14 C12 3.2271 -2.6906 -7.8082 C.2 1 UNK 0.1087 15 N 3.9828 -3.2263 -8.7249 N.2 1 UNK -0.0081 16 N1 5.0761 -2.5330 -9.2542 N.am 1 UNK -0.0151 17 C13 5.3728 -1.2904 -8.8255 C.2 1 UNK 0.4523 18 O 6.3292 -0.6910 -9.2929 O.2 1 UNK -0.2105 19 C14 4.5741 -0.6877 -7.8436 C.2 1 UNK 0.1720 20 Cl 4.9346 0.9123 -7.2747 Cl 1 UNK -0.0717 21 C15 5.9064 -3.1635 -10.2835 C.3 1 UNK 0.1845 22 C16 5.3636 -4.5604 -10.5915 C.3 1 UNK 0.0020 23 C17 5.8762 -2.3128 -11.5548 C.3 1 UNK 0.0020 24 C18 7.3465 -3.2757 -9.7790 C.3 1 UNK 0.0020 25 H -0.4168 2.0624 0.8616 H 1 UNK 0.0238 26 H1 -0.5002 1.9717 -0.8813 H 1 UNK 0.0238 27 H2 1.0481 2.1348 -0.0881 H 1 UNK 0.0238 28 H3 0.5246 0.1522 2.1683 H 1 UNK 0.0238 29 H4 1.9895 0.2245 1.2187 H 1 UNK 0.0238 30 H5 1.0996 -1.2743 1.3392 H 1 UNK 0.0238 31 H6 -1.6894 -0.0810 1.0339 H 1 UNK 0.0238 32 H7 -1.1143 -1.5074 0.2047 H 1 UNK 0.0238 33 H8 -1.7727 -0.1715 -0.7090 H 1 UNK 0.0238 34 H9 -0.7241 -1.5305 -1.7996 H 1 UNK 0.0621 35 H10 0.3798 -2.3456 -3.7862 H 1 UNK 0.0621 36 H11 3.7566 -0.0654 -2.8455 H 1 UNK 0.0621 37 H12 2.6474 0.7607 -0.8664 H 1 UNK 0.0621 38 H13 2.4834 -2.7574 -4.9259 H 1 UNK 0.0428 39 H14 3.8937 -1.8032 -4.5338 H 1 UNK 0.0428 40 H15 2.4249 -3.2193 -7.4313 H 1 UNK 0.0901 41 H16 4.3565 -4.4819 -10.9443 H 1 UNK 0.0297 42 H17 5.3847 -5.1553 -9.7024 H 1 UNK 0.0297 43 H18 5.9700 -5.0209 -11.3432 H 1 UNK 0.0297 44 H19 4.8691 -2.2343 -11.9076 H 1 UNK 0.0297 45 H20 6.4826 -2.7733 -12.3066 H 1 UNK 0.0297 46 H21 6.2558 -1.3359 -11.3393 H 1 UNK 0.0297 47 H22 7.3676 -3.8706 -8.8899 H 1 UNK 0.0297 48 H23 7.7261 -2.2988 -9.5635 H 1 UNK 0.0297 49 H24 7.9529 -3.7362 -10.5308 H 1 UNK 0.0297 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 10 ar 6 5 6 ar 7 6 7 ar 8 7 8 ar 9 8 9 ar 10 8 11 1 11 9 10 ar 12 11 12 1 13 12 13 1 14 13 19 2 15 13 14 1 16 14 15 2 17 15 16 1 18 16 17 am 19 16 21 1 20 17 18 2 21 17 19 1 22 19 20 1 23 21 22 1 24 21 23 1 25 21 24 1 26 1 25 1 27 1 26 1 28 1 27 1 29 3 28 1 30 3 29 1 31 3 30 1 32 4 31 1 33 4 32 1 34 4 33 1 35 6 34 1 36 7 35 1 37 9 36 1 38 10 37 1 39 11 38 1 40 11 39 1 41 14 40 1 42 22 41 1 43 22 42 1 44 22 43 1 45 23 44 1 46 23 45 1 47 23 46 1 48 24 47 1 49 24 48 1 50 24 49 1