
     RDKit          3D

 77 81  0  0  0  0  0  0  0  0999 V2000
   -3.9576   -0.2614   -3.0479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0215    0.3602   -1.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3390    0.8243   -1.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5097    2.1427   -0.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7748    2.5914   -0.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8863    1.7321   -0.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6943    0.4369   -1.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5815   -0.6118   -1.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8307   -1.6710   -1.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5435   -1.2999   -1.8635 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4697   -0.0072   -1.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8185    0.6059   -1.1894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5173    0.6008   -1.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6223    1.8011   -1.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7872    1.3716   -1.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7473    0.7015    0.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0443    0.0150    0.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2342    1.0175    0.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5696    0.3525    1.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -0.8532    0.4385 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3566   -0.5458   -0.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7736   -0.0537   -0.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8110   -0.9080   -0.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1175   -0.4197   -0.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3788    0.9074   -0.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3208    1.7314   -1.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0532    1.2387   -1.2162 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7672   -1.8257    0.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4413   -1.1997   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7560   -0.4374    2.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954    0.3027    3.2731 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -1.6492    2.6243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1954   -2.0277    2.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2744   -1.0637    2.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3315   -1.1920    4.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6871   -1.3643    2.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6903   -0.7115    2.8994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8577   -1.0638    0.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8638    0.4325    0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6688    2.8255   -0.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8918    3.6065   -0.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8593    2.0660   -0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6319   -0.6175   -0.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2077   -2.6657   -1.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7703   -1.9118   -2.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0140   -0.3741   -1.7149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6702    0.6568   -2.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0970    2.4320   -0.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5066    2.4613   -2.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    2.2859   -0.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    0.6977   -1.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0404   -0.0654    0.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4313    1.4768    1.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353    1.8743    1.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3553    1.4507   -0.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3868    1.1004    1.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5395    0.0695    2.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3439   -1.4589   -1.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7082    0.2006   -1.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6070   -1.9373   -0.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9273   -1.0682   -0.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3900    1.2934   -0.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5073    2.7624   -1.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6528   -2.2327    1.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0074   -2.7001   -0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5640   -0.8926   -1.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592   -1.9816   -0.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2294   -2.1111    1.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4024   -3.0483    2.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0021   -0.0166    2.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5247   -0.7487    4.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8612   -2.4562    2.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450    0.2485    2.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8302   -1.4953    0.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0841   -1.5927    0.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    0.9606    0.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7769    0.9063    0.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  2 12  1  0
 12 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
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 20 28  1  0
 28 29  1  0
 17 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 11  3  1  0
 39 12  1  0
 11  7  2  0
 29 17  1  0
 27 22  1  0
  4 40  1  0
  5 41  1  0
  6 42  1  0
  8 43  1  0
  9 44  1  0
 10 45  1  0
 13 46  1  0
 13 47  1  0
 14 48  1  0
 14 49  1  0
 15 50  1  0
 15 51  1  0
 16 52  1  0
 16 53  1  0
 18 54  1  0
 18 55  1  0
 19 56  1  0
 19 57  1  0
 21 58  1  0
 21 59  1  0
 23 60  1  0
 24 61  1  0
 25 62  1  0
 26 63  1  0
 28 64  1  0
 28 65  1  0
 29 66  1  0
 29 67  1  0
 33 68  1  0
 33 69  1  0
 34 70  1  0
 35 71  1  0
 36 72  1  0
 37 73  1  0
 38 74  1  0
 38 75  1  0
 39 76  1  0
 39 77  1  0
M  END
$$$$
