
     RDKit          3D

 59 61  0  0  0  0  0  0  0  0999 V2000
    4.9020    0.3470    2.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0406    0.2082    0.8990 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0217   -0.7385    1.1755 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4128   -2.0958    0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2534   -3.0938    0.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9077   -2.4832    0.2041 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7074   -2.4669   -1.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5879   -1.7333   -1.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8340   -2.3136   -1.2182 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367   -3.7701   -1.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0448   -1.5114   -1.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1628   -2.0847   -1.2617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0921   -0.0101   -0.8144 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6660    0.8429   -2.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4198    0.4012    0.4423 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2634   -0.5628    1.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6489    1.7563    0.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6155    1.9864    1.6535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7960    2.8900    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3455    4.1851    0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5811    5.2763    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    5.0924   -0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3134    3.8171   -0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6433    3.6474   -0.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7104    3.5080   -1.3298 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4401    2.7136    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1191    1.4365    0.1478 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2401    1.0853    0.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7145   -0.2905    0.5056 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6798   -1.2143    0.7924 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7218    1.0408    1.7321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3598    0.7901    2.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -0.6271    2.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8182   -0.8664    2.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2921   -2.5067    1.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7006   -1.9644   -0.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4892   -3.9990    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1534   -3.4125    1.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1248   -3.1578    0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669   -1.9661   -1.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7311   -3.4986   -1.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6485   -1.7305   -2.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3713   -4.0536   -2.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8096   -4.0892   -0.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220   -4.3408   -1.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1725    0.2255   -0.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5811    1.0498   -2.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9572    0.3510   -2.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1786    1.8256   -1.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2522   -0.8013    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6112   -0.1435    2.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7995   -1.5036    1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774    4.3527    0.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0185    6.2659   -0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3087    5.9428   -0.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0567    1.8251    0.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289    1.0531    2.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8913   -0.1950   -0.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  3  0
 23 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29  3  1  0
 30  6  1  0
 26 19  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  3 34  1  1
  4 35  1  0
  4 36  1  0
  5 37  1  0
  5 38  1  0
  6 39  1  1
  7 40  1  0
  7 41  1  0
  8 42  1  0
  8 43  1  0
 10 44  1  0
 10 45  1  0
 10 46  1  0
 13 47  1  1
 14 48  1  0
 14 49  1  0
 14 50  1  0
 16 51  1  0
 16 52  1  0
 16 53  1  0
 20 54  1  0
 21 55  1  0
 22 56  1  0
 28 57  1  0
 28 58  1  0
 29 59  1  6
M  END
$$$$
