
     RDKit          2D

 60 63  0  0  0  0  0  0  0  0999 V2000
   -3.6533    7.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5519    6.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8832    5.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3158    4.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7819    4.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3493    4.5731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7521    3.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4208    2.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1846    3.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6670    5.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1669    5.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6115    3.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3864    3.1016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3665    1.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0577    0.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6555    0.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9644    1.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2534    0.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    1.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8512    0.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8313   -0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5225   -1.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2335   -0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6357   -0.6653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268   -1.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0378   -0.6308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3069   -2.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9981   -3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9782   -5.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6694   -5.8632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2672   -5.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5959   -3.6650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9048   -2.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9246   -1.4324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1938   -3.6994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5026   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7699   -1.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8115   -2.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.7805    3.4781    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
   -9.0695    4.2452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1895   -2.2888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6791   -2.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5768   -3.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0664   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.8825   -5.8941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4953   -4.8688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5976   -3.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1081   -3.8436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  2  0
  9  7  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  6
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 16 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  1
 28 29  1  0
 29 30  1  0
 29 31  2  0
 27 32  1  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
  5 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 44 43  1  1
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  6
 49 50  1  0
 50 51  3  0
 46 52  1  1
 52 53  1  0
 53 54  2  0
 54 55  1  0
 54 56  1  0
 56 57  2  0
 56 58  1  0
 58 59  1  0
 59 60  2  0
 13  9  1  0
 23 18  1  0
 48 44  1  0
 59 52  1  0
M  CHG  2  49  -1  50   1
M  END
$$$$
