
     RDKit          3D

 72 73  0  0  0  0  0  0  0  0999 V2000
   -5.1132   -3.0847    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5323   -1.7891   -0.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4460   -1.2826   -1.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3711   -0.7193    0.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4125    0.4465    0.3407 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0606    0.1882    0.8603 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2067   -0.8275    0.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1910   -1.0065   -0.9471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4229   -1.7717    1.1950 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0754   -1.1622    2.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880   -2.2749    0.5117 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7387   -3.4950   -0.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0525   -1.5994    0.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9213   -2.0381    1.4176 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408   -0.3796   -0.2149 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3031   -0.6939   -1.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7040   -1.0820   -0.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7107   -0.1061   -0.9026 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0166   -0.4663   -0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3278   -1.8017   -0.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3334   -2.7787   -0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0260   -2.4235   -0.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    0.7133    0.6668 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    2.0580    0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1126    2.4714    0.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8852    3.9567   -0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4646    4.1786   -0.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6711    3.8489    0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8688    3.3630   -0.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9618    2.9611    0.1382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9289    1.7535    0.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3091    1.7905    2.1183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1172   -2.9018    0.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4469   -3.4771    0.9806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2040   -3.8548   -0.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5392   -2.0346   -0.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4573   -1.0417   -1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0288   -0.3675   -2.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5507   -2.0610   -2.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9914   -1.2031    1.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3841   -0.3302    0.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3628    0.5456   -0.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7494    0.6922    1.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0902   -2.6344    1.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5649   -1.8670    3.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4676   -0.1972    2.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9970   -0.9972    3.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2971   -3.8932   -0.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0958   -3.2834   -1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3942   -4.2681    0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3827   -0.0979   -0.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8653   -1.5149   -1.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483    0.1789   -2.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4830    0.9341   -1.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7924    0.2870   -0.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -2.0798   -0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5758   -3.8133   -0.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2685   -3.1948   -0.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8162    0.5922    0.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9055    2.1181   -0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2092    2.7823    0.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7840    2.2914    1.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4894    1.8355   -0.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6856    4.3062   -0.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9380    4.5823    0.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5393    5.2420   -1.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763    3.5587   -1.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9627    4.7563    0.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4143    3.0600    0.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    2.5108   -1.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2131    4.1866   -1.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6299    3.7064    0.4357 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
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  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
 15 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 31  5  1  0
 22 17  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  0
  3 37  1  0
  3 38  1  0
  3 39  1  0
  4 40  1  0
  4 41  1  0
  5 42  1  6
  6 43  1  0
  9 44  1  1
 10 45  1  0
 10 46  1  0
 10 47  1  0
 12 48  1  0
 12 49  1  0
 12 50  1  0
 15 51  1  6
 16 52  1  0
 16 53  1  0
 18 54  1  0
 19 55  1  0
 20 56  1  0
 21 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 24 61  1  0
 25 62  1  0
 25 63  1  0
 26 64  1  0
 26 65  1  0
 27 66  1  0
 27 67  1  0
 28 68  1  0
 28 69  1  0
 29 70  1  0
 29 71  1  0
 30 72  1  0
M  END
$$$$
