
     RDKit          3D

 81 84  0  0  0  0  0  0  0  0999 V2000
    8.1756    0.7007    1.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    1.4472    1.4777 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7585    0.9996    2.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    0.1395    1.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4201    0.9300    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9316   -0.0139   -1.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7100   -0.9222   -1.4623 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6020    0.0812   -1.6125 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9546    1.3887   -1.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6064    1.4955   -1.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7634    1.5660    0.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5694    1.6360    1.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448    0.3916    1.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4584    0.4790    2.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7591   -0.3061    2.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6075    0.2998    1.1879 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4909   -0.7084    0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7291   -0.0512    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9547    0.0129   -1.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1078    0.6400   -1.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0016    1.1828   -0.9784 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8064    1.1374    0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6657    0.5225    0.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8499    1.0853    0.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4484    0.5124   -0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7288   -0.9158    1.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2733   -0.8529    2.1178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1393   -2.2282    1.0459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7324   -2.7734   -0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9055   -2.5332   -1.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6272   -3.0804   -2.4931 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5363   -3.1435   -1.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6063   -4.2945   -0.6026 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6355   -2.1229   -1.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9717   -1.1356   -2.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5461    1.8514   -0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9248    1.4095   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0720   -0.3856    1.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0949    1.0864    1.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3032    0.8409    3.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9829    0.4349    3.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1913    1.9023    2.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4083   -0.7837    1.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9493   -0.1701    1.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5872    1.5847    0.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7719    1.5107   -2.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6142    2.2335   -1.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0776    2.4081   -1.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0009    0.6182   -1.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3927    0.7250    0.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3339    2.4910    0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1174    2.5557    0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2695    1.8131    2.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9377    0.0946    3.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260    1.5358    2.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3288   -0.3084    3.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5052   -1.3635    2.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9479   -1.2719   -0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8254   -1.4561    1.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2450   -0.4129   -2.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2915    0.6955   -2.9122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5350    1.5816    1.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5106    0.4941    1.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4089    1.1688   -0.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7443    2.1269    0.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0084    1.1959   -0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5878   -0.4247   -0.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8234   -3.8705    0.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7836   -2.4451   -0.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -1.4394   -1.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3049   -2.6320   -3.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7796   -3.4791   -2.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6787   -4.0010    0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3304   -1.5678   -0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5648   -2.6743   -0.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6572   -1.6244   -2.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605   -0.8746   -2.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3652    2.8921   -0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5517    1.8830   -1.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1403    0.3869   -0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6913    2.0981   -0.4210 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  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 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  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
 13 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
  5 36  1  0
 36 37  1  0
 37  2  1  0
 35  8  1  0
 25 13  1  0
 23 18  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  3 41  1  0
  3 42  1  0
  4 43  1  0
  4 44  1  0
  5 45  1  0
  9 46  1  0
  9 47  1  0
 10 48  1  0
 10 49  1  0
 11 50  1  0
 11 51  1  0
 12 52  1  0
 12 53  1  0
 14 54  1  0
 14 55  1  0
 15 56  1  0
 15 57  1  0
 17 58  1  0
 17 59  1  0
 19 60  1  0
 20 61  1  0
 22 62  1  0
 23 63  1  0
 24 64  1  0
 24 65  1  0
 25 66  1  0
 25 67  1  0
 29 68  1  0
 29 69  1  0
 30 70  1  0
 31 71  1  0
 32 72  1  0
 33 73  1  0
 34 74  1  0
 34 75  1  0
 35 76  1  0
 35 77  1  0
 36 78  1  0
 36 79  1  0
 37 80  1  0
 37 81  1  0
M  END
$$$$
