
     RDKit          3D

 77 78  0  0  0  0  0  0  0  0999 V2000
   -4.5218   -5.4549    1.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9030   -4.1040    1.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9404   -4.2899    2.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2038   -3.4715    0.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6017   -2.0696    0.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9847   -1.5667   -0.5801 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6512   -1.0571   -0.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3218   -1.8572   -0.4932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4089    0.4221   -0.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2649    1.0341    0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1129    1.6066    1.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2464    2.7601    1.5316 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2756    0.8141    0.7678 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.3865    0.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6192    0.4391    0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0404    1.0142    0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750    0.2049   -0.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9516   -1.2347   -0.4352 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8631   -1.5309    0.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3237   -2.0441   -1.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3206    2.0190    1.0886 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4933    3.3073    0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7854    4.2998    1.1892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4387    3.4926   -0.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1874    3.4535   -1.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0824    3.6774   -3.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2209    3.9820   -3.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4647    4.0574   -3.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5977    3.8071   -1.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8955    3.9298   -1.2164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5111    3.0859   -0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3869    1.6078   -0.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2140    0.7139    0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7022   -0.6520    0.2715 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6295   -1.0766    1.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5382   -0.6088    2.2973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2539   -5.3194    0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7339   -6.1728    0.9122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0675   -5.8882    2.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7339   -3.4375    1.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6232   -3.3128    3.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0402   -4.8573    2.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4437   -4.8448    3.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9354   -3.4114   -0.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3839   -4.1441    0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8092   -2.1660    1.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5826   -1.3838   -1.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2482    0.8799   -1.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4971    0.6143   -1.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3664    0.2160    1.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1454   -0.1837    0.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9158    1.5567    1.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6220    2.3588    0.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6146   -0.5364    0.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2900    0.2642   -0.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4367    1.0274    1.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0233    2.0670   -0.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0066    0.6241   -0.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6276    0.3714   -1.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5563   -0.9727    1.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8141   -2.6126    0.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9157   -1.2670    0.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5886   -1.8907   -2.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3062   -3.1273   -1.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3335   -1.7722   -1.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    1.8546    1.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7200    3.2705   -1.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8884    3.6447   -3.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1359    4.1737   -4.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3406    4.3077   -3.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5874    3.3537   -0.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0946    3.2763    0.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3244    1.3146   -0.5344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7149    1.4531   -1.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2761    0.7190   -0.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1839    1.0962    1.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9607   -1.2408   -0.5531 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  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 10 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 35  5  1  0
 29 24  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  2 40  1  0
  3 41  1  0
  3 42  1  0
  3 43  1  0
  4 44  1  0
  4 45  1  0
  5 46  1  0
  6 47  1  0
  9 48  1  0
  9 49  1  0
 10 50  1  0
 13 51  1  0
 14 52  1  0
 14 53  1  0
 15 54  1  0
 15 55  1  0
 16 56  1  0
 16 57  1  0
 17 58  1  0
 17 59  1  0
 19 60  1  0
 19 61  1  0
 19 62  1  0
 20 63  1  0
 20 64  1  0
 20 65  1  0
 21 66  1  0
 25 67  1  0
 26 68  1  0
 27 69  1  0
 28 70  1  0
 31 71  1  0
 31 72  1  0
 32 73  1  0
 32 74  1  0
 33 75  1  0
 33 76  1  0
 34 77  1  0
M  END
$$$$
