
     RDKit          3D

 74 78  0  0  0  0  0  0  0  0999 V2000
   -4.1732    4.9891   -0.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7786    3.6973   -0.2131 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6163    2.5448   -1.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8688    2.6465   -2.2891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1491    1.2111   -0.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7956    1.4202    0.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6888    2.0868   -0.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7175    1.6448   -0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1748    0.3419   -0.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7847   -0.6101    0.1530 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1903   -0.9192    0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5733   -2.1161    0.1635 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1965    0.1401   -0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1290    1.4462    0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314    2.1377   -0.0406 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4653    3.5608    0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9977    1.2835   -0.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2185    1.5433   -1.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8312    0.4987   -2.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2179   -0.7703   -2.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9879   -1.0076   -1.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4018    0.0470   -0.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9198   -1.4732    0.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2900   -2.5994    0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1263   -2.6510    0.3130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917   -3.3890    1.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1071   -3.9399    2.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7882   -4.7171    3.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1578   -4.9469    3.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8523   -4.3964    2.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1824   -3.6022    1.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9396   -3.0168    0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833   -3.7773   -0.7058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9639   -1.5963   -0.1419 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0488   -0.6975    1.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2234    0.7640    0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9748   -1.0395   -1.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9530    0.1000   -1.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1510    4.8987   -1.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2762    5.7275    0.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4024    5.3475   -1.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6103    3.6266    0.8163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    2.0253    1.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4456    0.4324    0.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7742    3.1906   -0.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8183    1.8752   -1.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7478    1.5407    1.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4326    2.4560   -0.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3290   -0.1537   -1.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8940    0.6002   -1.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3334    1.8584    0.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3002    4.1187   -0.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7696    3.9526    0.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5058    3.7229    0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6810    2.5197   -1.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7743    0.6717   -2.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6908   -1.5648   -2.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5080   -1.9745   -1.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5039   -1.9214    1.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1373   -0.8615    1.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7519   -3.5788    0.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4846   -2.4339   -0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470   -3.7797    2.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2538   -5.1419    4.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6817   -5.5494    3.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9163   -4.5813    2.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9169   -0.9895    1.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1327   -0.7957    1.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2025    1.4121    1.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2408    0.8706    0.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7019   -1.8180   -2.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9926   -0.6644   -1.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9607   -0.3878   -1.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9459    0.5106   -2.6090 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
  3  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  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 10 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 34 37  1  0
 37 38  1  0
 36  5  1  0
 38  5  1  0
 22 13  1  0
 31 26  1  0
 22 17  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  2 42  1  0
  6 43  1  0
  6 44  1  0
  7 45  1  0
  7 46  1  0
  8 47  1  0
  8 48  1  0
  9 49  1  0
  9 50  1  0
 14 51  1  0
 16 52  1  0
 16 53  1  0
 16 54  1  0
 18 55  1  0
 19 56  1  0
 20 57  1  0
 21 58  1  0
 23 59  1  0
 23 60  1  0
 24 61  1  0
 24 62  1  0
 27 63  1  0
 28 64  1  0
 29 65  1  0
 30 66  1  0
 35 67  1  0
 35 68  1  0
 36 69  1  0
 36 70  1  0
 37 71  1  0
 37 72  1  0
 38 73  1  0
 38 74  1  0
M  END
$$$$
