
     RDKit          3D

 57 59  0  0  0  0  0  0  0  0999 V2000
    3.8791    0.7783    4.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9439    1.1331    2.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8566    0.0006    1.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927   -1.0926    2.1188 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3413   -1.8566    1.0998 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -1.2736    0.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7525   -1.8761   -0.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474   -2.1058   -1.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385   -0.8054   -2.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966    0.0307   -3.0142 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6294   -0.5019   -2.2936 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1718    0.8869   -2.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343    1.8462   -1.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2609    1.5307   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1788    2.0079    0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6904    1.4585    1.5273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0425    1.8523    2.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9157    0.6900    1.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4669    0.5108    2.7214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5852    0.1146    0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9481    0.3916    0.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6514   -0.2158   -0.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3502    0.1497   -1.0799 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.0070   -1.1293   -1.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6572   -1.4271   -1.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9249   -0.7970   -0.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5622   -1.0646   -0.2279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7787   -2.0421   -0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3734   -1.5817   -2.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5947   -0.0714    0.7971 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4973   -0.1106    4.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8994    0.5629    3.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9392    1.6314    4.7556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9335    1.3559    3.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3209    2.0416    2.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2226   -2.8512   -0.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449   -1.2216   -1.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8968   -2.8008   -1.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0905   -2.6157   -2.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5008    1.2373   -3.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9362    0.9459   -2.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4472    2.8876   -1.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8439    1.8105   -1.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651    0.4472    0.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9436    2.0547    0.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8388    1.7342   -0.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1924    3.1179    0.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6216    0.9536    3.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7797    2.3359    3.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2258    2.5839    2.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4660    1.0783    0.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5535   -1.6167   -2.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2012   -2.1602   -2.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3341   -3.0029   -0.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1263   -2.2340   -0.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214   -2.4512   -2.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2678   -1.2549   -2.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 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
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
  6 30  2  0
 30  3  1  0
 29 11  1  0
 26 20  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  2 34  1  0
  2 35  1  0
  7 36  1  0
  7 37  1  0
  8 38  1  0
  8 39  1  0
 12 40  1  0
 12 41  1  0
 13 42  1  0
 13 43  1  0
 14 44  1  0
 14 45  1  0
 15 46  1  0
 15 47  1  0
 17 48  1  0
 17 49  1  0
 17 50  1  0
 21 51  1  0
 24 52  1  0
 25 53  1  0
 28 54  1  0
 28 55  1  0
 29 56  1  0
 29 57  1  0
M  END
$$$$
