
     RDKit          3D

 79 83  0  0  0  0  0  0  0  0999 V2000
    6.6173    1.5321    0.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4339    0.9939   -0.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4799    0.2134    0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4534   -0.4478   -0.2673 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0507   -0.4090    0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1996   -0.4444   -0.8629 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5739   -0.2593    1.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9937    1.1637    1.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0519    1.6674    0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5377    2.3743   -0.2518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3508    1.3410    0.6164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    0.9706    1.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6521    2.2439    2.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5480    3.0978    1.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9987    4.0936    0.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8238    4.8506   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2020    4.6206   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7569    3.6346    0.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9356    2.8755    1.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3272    0.0582    1.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0397   -0.3769    2.3710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6768   -0.3098    0.0724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0726   -0.4239   -0.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0591   -1.0208   -1.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7108   -1.7171   -1.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7872   -0.9606   -0.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7711   -1.8821   -0.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9573   -2.5381   -1.1801 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2870   -3.1722   -0.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8435   -3.8003   -2.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -4.4443   -2.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859   -4.4709   -0.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2615   -3.8495    0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0209   -3.1913    0.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5020   -2.6683    1.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0971   -3.4768    2.2896 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -1.2877    1.9420 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9226   -1.2131   -1.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9012   -0.3633   -2.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1824    0.7041   -3.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9348    0.1806   -1.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2053    0.6948    0.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2595    2.1911    1.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2834    2.1256   -0.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9021    1.8790   -0.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0277    0.9337    1.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0385   -0.5572    1.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489   -0.3716    2.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5143    1.2255    2.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8474    1.8737    1.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8641    1.6891   -0.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5451    0.4003    2.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1904    1.9621    3.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7695    2.8378    2.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9318    4.2763    0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3945    5.6143   -0.6623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8395    5.2063   -0.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8239    3.4564    0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3802    2.1108    2.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5581    0.5752   -0.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6103   -1.1052    0.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1265   -0.2052   -2.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8996   -1.7311   -1.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3338   -1.6837   -2.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8241   -2.7783   -1.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2441   -0.1839   -1.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2757   -2.6322    0.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1548   -1.2111    0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3088   -3.7875   -3.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4901   -4.9220   -2.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7438   -4.9718   -0.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8244   -3.8879    1.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1474   -1.0880    2.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4543   -2.1184   -1.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0803   -1.5519   -2.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3912   -1.0494   -2.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9273    1.3793   -3.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    0.2131   -3.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4795    1.3038   -2.4725 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  2  0
  5  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  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 12 20  1  0
 20 21  2  0
 20 22  1  0
 22 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  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
  4 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 41  2  1  0
 37  7  1  0
 19 14  1  0
 26 22  1  0
 34 29  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  0
  3 46  1  0
  3 47  1  0
  7 48  1  0
  8 49  1  0
  8 50  1  0
 11 51  1  0
 12 52  1  0
 13 53  1  0
 13 54  1  0
 15 55  1  0
 16 56  1  0
 17 57  1  0
 18 58  1  0
 19 59  1  0
 23 60  1  0
 23 61  1  0
 24 62  1  0
 24 63  1  0
 25 64  1  0
 25 65  1  0
 26 66  1  0
 27 67  1  0
 27 68  1  0
 30 69  1  0
 31 70  1  0
 32 71  1  0
 33 72  1  0
 37 73  1  0
 38 74  1  0
 38 75  1  0
 39 76  1  0
 40 77  1  0
 40 78  1  0
 40 79  1  0
M  END
$$$$
