
     RDKit          3D

 79 82  0  0  0  0  0  0  0  0999 V2000
    4.2197   -0.0043    2.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3364    1.1574    1.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3144    2.4941    2.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1953    1.0948    0.3538 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0850   -0.2062   -0.2337 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0543   -0.8373   -1.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1907   -0.3133   -1.1927 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319   -2.1513   -1.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7270   -3.2412   -1.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8683   -1.9532   -3.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3025   -2.5752   -1.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8879   -2.8756   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4681   -3.1014    0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1614   -3.8550    1.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1622   -3.9878    1.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1936   -3.3383    1.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5162   -3.3813    1.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5068   -2.6597    0.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1749   -1.9196   -0.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8813   -1.9015   -0.7232 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8952   -2.5838   -0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5760   -2.4805   -0.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1498   -0.9821   -0.9739 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6106   -1.4476   -0.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0125    0.3443   -0.3709 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0360    1.2729   -0.8612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8979    1.4361   -2.1039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1393    2.0047    0.1055 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9418    2.9420    1.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1351    4.1767    1.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6266    3.9043    1.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1584    3.2217    0.3361 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0886    2.7420   -0.6101 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534    3.0716    0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0842    3.5140    0.9269 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7503    2.4262   -1.1910 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4173    0.9286   -1.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1796    2.6955   -1.4292 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3188    2.1402   -0.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4714    2.4935   -1.1113 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0320    0.0553    3.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3214   -0.9797    1.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2403    0.0277    2.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3248    1.0716    0.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4911    3.3420    1.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3370    2.6417    2.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167    2.5127    2.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2566    1.2759    0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7607   -2.9850   -1.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7335   -3.3508   -0.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4598   -4.2219   -1.7191 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9076   -1.6688   -3.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6140   -2.8911   -3.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1847   -1.1500   -3.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5870   -2.5882   -2.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6110   -2.9121    0.6343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9505   -4.3302    1.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3741   -4.5653    2.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7771   -3.9403    2.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5113   -2.6665    1.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3700   -1.8614   -1.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8801   -0.9323   -2.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0187   -1.3599    0.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2299   -0.8134   -1.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6935   -2.5020   -1.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3572    0.4665    0.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6478    1.2246    0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8657    3.2994    0.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2578    2.3678    1.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4978    4.5257    2.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3092    5.0020    0.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0968    4.8756    1.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4019    3.2697    2.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5035    3.5679   -1.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    2.9138   -2.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5337    0.4245   -0.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0643    0.4297   -2.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6362    0.7851   -1.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3948    3.3757   -2.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 19 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 39 40  2  0
 39  4  1  0
 22 13  1  0
 33 28  1  0
 21 16  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  2 44  1  0
  3 45  1  0
  3 46  1  0
  3 47  1  0
  4 48  1  1
  9 49  1  0
  9 50  1  0
  9 51  1  0
 10 52  1  0
 10 53  1  0
 10 54  1  0
 11 55  1  0
 12 56  1  0
 14 57  1  0
 15 58  1  0
 17 59  1  0
 18 60  1  0
 22 61  1  0
 23 62  1  6
 24 63  1  0
 24 64  1  0
 24 65  1  0
 25 66  1  0
 28 67  1  1
 29 68  1  0
 29 69  1  0
 30 70  1  0
 30 71  1  0
 31 72  1  0
 31 73  1  0
 33 74  1  0
 36 75  1  6
 37 76  1  0
 37 77  1  0
 37 78  1  0
 38 79  1  0
M  END
$$$$
