
     RDKit          2D

 82 89  0  0  0  0  0  0  0  0999 V2000
   -5.7158   -8.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3985   -7.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3613   -6.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6413   -5.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0440   -5.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7640   -6.1158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4467   -5.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4095   -3.8988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8333   -6.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9530   -7.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4120   -8.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940   -6.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2183   -5.6045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5665   -4.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4771   -3.1144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -3.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0936   -4.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5313   -4.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6207   -5.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0584   -4.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4066   -3.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3172   -2.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8795   -2.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3524   -2.2585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2630   -1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9716   -1.9905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6112    0.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5218    1.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8700    2.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2447    3.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7805    3.7528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    3.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0851    4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5441    5.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9720    6.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9410    7.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5181    7.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9460    5.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7708    1.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2298    1.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6578    0.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6267   -0.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1677   -0.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2603    0.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0948    2.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4430    1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8807    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9701    2.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6219    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1842    3.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0489    0.6595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    2.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    3.2747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8347    2.5465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1829    4.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6206    4.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7100    3.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1477    3.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4959    5.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4065    6.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9688    5.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0068   -3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6895   -3.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -3.0522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2495   -1.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5295   -0.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6492    0.7246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1082    1.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8903   -0.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9146   -1.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2628   -2.8055    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.7004   -3.2335    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
  -10.1381   -3.6614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6841    2.4579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1715    2.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7474    4.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2348    4.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8358    5.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4117    6.6130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3484    5.0342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7725    3.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2851    3.4553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  2  0
  9  7  1  1
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 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  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  6
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 32 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 32 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 27 51  1  0
 51 52  1  0
 52 53  2  0
 52 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  2  0
 57 58  1  0
 58 59  2  0
 59 60  1  0
 60 61  2  0
  5 62  1  0
 62 63  2  0
 62 64  1  0
 64 65  1  0
 66 65  1  6
 66 67  1  0
 67 68  1  0
 68 69  1  0
 69 70  1  0
 70 71  1  1
 71 72  1  0
 72 73  3  0
 68 74  1  6
 74 75  1  0
 75 76  2  0
 76 77  1  0
 76 78  1  0
 78 79  2  0
 78 80  1  0
 80 81  1  0
 81 82  2  0
 13  9  1  0
 23 18  1  0
 38 33  1  0
 44 39  1  0
 50 45  1  0
 61 56  1  0
 70 66  1  0
 81 74  1  0
M  CHG  2  71  -1  72   1
M  END
$$$$
