
     RDKit          3D

 95 97  0  0  0  0  0  0  0  0999 V2000
    8.1963   -0.7588    5.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9266   -0.1011    3.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7436   -0.7390    2.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3820   -0.6184    3.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9389    0.8198    4.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8707    1.7706    2.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8794    1.3458    1.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    1.3389    2.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4221    1.1944    1.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4724   -0.1622    0.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1996   -1.1871    1.0743 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8452   -0.2985   -0.9868 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2462   -0.3687   -1.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2695   -0.8925   -2.7846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8769   -0.6074   -3.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9335   -0.6131   -2.0966 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3138   -2.0278   -1.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7017   -2.4350   -2.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3124   -3.1779   -4.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2489   -3.5201   -5.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5860   -3.1440   -4.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9920   -2.4358   -3.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0556   -2.0869   -2.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586    0.4501   -2.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3644    1.0094   -3.3400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0177    0.7644   -1.1201 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9081    1.9293   -1.1366 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1784    1.6333   -1.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0493    2.6068   -2.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4233    2.3072   -2.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4984    2.6266   -1.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4139    1.5001   -1.4617 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0217    0.2011   -0.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8410   -0.7495   -1.0691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6745   -0.0814   -0.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1143    0.6459    0.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7006    0.3923    0.9615 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6715   -0.4651    2.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2331   -0.6403    2.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3010   -1.8501    2.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0487    1.6873    1.1967 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1964    2.3966    0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483    3.4622    0.6690 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3509   -1.8518    4.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1120   -0.3194    5.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3536   -0.5799    5.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8384   -0.2145    3.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7626    0.9895    3.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9613   -1.8168    2.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6700   -0.2823    1.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6094   -1.1102    3.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4136   -1.2019    4.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6365    1.2526    4.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9461    0.7798    4.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5874    2.7823    3.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8821    1.8729    2.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1523    0.3470    1.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9804    2.0732    0.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2066    2.2956    2.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2628    0.5128    2.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6024    1.9816    0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3963    1.3529    1.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6936    0.6482   -1.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7959   -1.0622   -0.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -0.3925   -3.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4469   -1.9924   -2.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9179    0.4008   -3.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5995   -1.3330   -4.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1871   -2.0695   -0.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1257   -2.7859   -1.8304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7163   -3.4893   -4.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9357   -4.0767   -5.9042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3109   -3.4145   -5.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0312   -2.1544   -3.6184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3878   -1.5545   -1.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0185    0.1285   -0.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3818    2.7583   -1.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4177    0.6043   -2.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8126    3.6340   -1.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5925    2.9369   -3.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4933    1.2529   -3.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0854    3.5065   -2.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0561    2.9308   -0.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4129    1.6392   -1.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1492   -0.9376   -0.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6861    1.4238    0.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1567   -0.1693    0.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2540    0.0552    3.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6031   -1.1277    1.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7850    0.3410    3.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2236   -1.2652    3.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2241   -2.4611    2.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7832   -2.3847    1.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3804   -1.7547    1.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2868    2.1799    2.0871 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
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
 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  2  0
 24 26  1  0
 26 27  1  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  2  0
 33 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 37 41  1  0
 41 42  1  0
 42 43  2  0
 16 12  1  0
 23 18  1  0
 42 27  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  2 47  1  0
  2 48  1  0
  3 49  1  0
  3 50  1  0
  4 51  1  0
  4 52  1  0
  5 53  1  0
  5 54  1  0
  6 55  1  0
  6 56  1  0
  7 57  1  0
  7 58  1  0
  8 59  1  0
  8 60  1  0
  9 61  1  0
  9 62  1  0
 13 63  1  0
 13 64  1  0
 14 65  1  0
 14 66  1  0
 15 67  1  0
 15 68  1  0
 17 69  1  0
 17 70  1  0
 19 71  1  0
 20 72  1  0
 21 73  1  0
 22 74  1  0
 23 75  1  0
 26 76  1  0
 27 77  1  6
 28 78  1  0
 29 79  1  0
 30 80  1  0
 30 81  1  0
 31 82  1  0
 31 83  1  0
 32 84  1  0
 35 85  1  0
 36 86  1  0
 37 87  1  6
 38 88  1  0
 39 89  1  0
 39 90  1  0
 39 91  1  0
 40 92  1  0
 40 93  1  0
 40 94  1  0
 41 95  1  0
M  END
$$$$
