YF00044
     RDKit          3D

 88 98  0  0  1  0  0  0  0  0999 V2000
   13.0831    1.3680   -3.6873 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.7594    0.4403   -2.9047 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.6648    2.5447   -3.1124 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.0285    0.6129   -1.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9688   -0.4021   -0.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8354    2.7098   -1.7442 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.4419    1.7455   -0.9007 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9972   -1.2888    0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8971   -5.6830    3.4790 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.1639   -3.2997    2.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9690    0.5996    2.0108 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.6034    1.9547    2.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2471    1.2850    2.3943 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.8501   -0.1759   -3.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3521    1.2184   -1.3278 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.1100    2.7282    0.6170 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.6550   -1.2780    2.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5598   -0.0391   -3.1658 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.1005    0.9963    2.6352 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.9686    1.5171    1.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1149   -1.4441    1.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4816    2.9953    0.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6905   -7.0229    3.1578 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.8222   -4.7301    2.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3003   -2.3663    1.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7273   -0.6026    1.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0415    1.6366    1.4258 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6214    1.4920    2.5819 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.5946    0.6963   -2.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1340    0.4714   -2.6518 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.0261    1.9979   -0.1863 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7309    1.0677    3.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5855    0.8062   -0.0727 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.9704   -2.7083    1.8617 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.6443    0.9387    1.3183 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.5989   -0.3287    1.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4338   -7.4140    1.8371 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.6181   -5.1205    1.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4103   -1.0641    0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0520   -2.7802    0.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8498    0.9419    0.1150 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.3270   -2.8259    3.1136 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.0212   -0.4353    3.2133 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.4241   -6.4696    0.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7008   -4.0749    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0829   -2.2155   -0.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3383   -0.2382   -0.5492 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.9473   -1.6902    3.8350 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.5398   -8.1361   -0.8555 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.1683   -0.0390   -2.8532 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.9711    1.3711   -2.9903 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.4459    0.3401   -3.5700 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.9171    2.3959   -3.1292 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.0262    4.7849   -2.9551 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.2344    1.7527   -3.2569 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.5436   -0.0509   -4.6316 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.0922    5.7767   -2.5993 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.3994    3.3604   -1.6895 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.2124    4.4832   -1.1764 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.2512    5.0742   -0.1800 C   0  0  0  0  0  1  0  0  0  0  0  0
   16.2167   -0.6639   -1.5246 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9007   -1.6257   -0.8783 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7934   -0.3333   -4.6806 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1426   -3.0518    3.3309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8860   -0.9741    3.7154 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.4064    3.0383    2.7697 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0558    2.7361    1.1093 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1620   -2.0340    0.1174 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1534    1.8603    2.5725 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.3239    0.0371   -1.1599 N   0  0  0  0  0  2  0  0  0  0  0  0
   13.3971    2.0066    0.5304 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6919    0.9342    2.0978 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.7837    2.7442    1.1899 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.5163    0.7421    2.1054 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.5973   -0.5978   -4.1058 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.8049    3.9591    1.6817 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1969    1.7923   -2.7074 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5607    0.4836    4.2864 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1512   -6.7878   -0.5204 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3426   -4.3245   -0.9207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8063   -2.7348   -1.5172 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.7642   -0.7084   -1.7190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3154   -0.5097   -3.5163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9524    3.5361   -2.2131 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1160    2.3560   -2.3652 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1269    5.8052   -1.7748 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1727    4.1287   -0.2344 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8397    0.0066   -2.7002 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  2  4  1  0
  3  6  2  0
  4  5  1  0
  4  7  2  0
  5  8  2  0
  5 61  1  0
  6  7  1  0
  7 71  1  0
  8 21  1  0
  8 68  1  0
  9 23  2  0
  9 24  1  0
 10 24  1  0
 10 25  1  0
 10 64  2  0
 11 26  1  0
 11 27  1  0
 12 27  1  0
 12 66  2  0
 12 72  1  0
 13 28  1  0
 13 72  1  0
 14 30  1  0
 14 63  2  0
 14 75  1  0
 15 30  1  0
 15 31  1  0
 16 22  1  0
 16 31  1  0
 17 25  2  0
 17 26  1  0
 17 65  1  0
 18 29  1  0
 18 75  1  0
 19 32  1  0
 19 74  1  0
 20 33  1  0
 20 67  2  0
 20 74  1  0
 21 34  2  0
 21 36  1  0
 22 71  1  0
 22 76  2  0
 23 37  1  0
 24 38  2  0
 25 40  1  0
 26 39  2  0
 27 41  1  0
 27 73  1  6
 28 69  1  0
 29 70  1  0
 29 77  2  0
 32 69  1  0
 32 78  2  0
 33 70  1  0
 34 42  1  0
 35 36  1  0
 35 71  1  0
 36 43  2  0
 37 44  2  0
 38 44  1  0
 38 45  1  0
 39 46  1  0
 39 47  1  0
 40 45  1  0
 40 46  2  0
 41 47  1  0
 42 48  2  0
 43 48  1  0
 44 79  1  0
 45 80  2  0
 46 81  1  0
 47 82  1  0
 49 79  1  0
 50 51  1  0
 50 82  1  0
 50 83  1  0
 52 55  1  0
 52 56  1  0
 52 83  1  0
 53 51  1  0
 53 55  1  0
 53 84  1  0
 54 57  1  0
 54 84  1  0
 55 85  1  0
 57 86  1  0
 58 59  1  0
 58 84  1  0
 58 85  1  0
 59 86  1  0
 59 87  1  0
 60 87  1  0
 61 62  1  0
 61 88  1  0
 62 68  2  0
M  RAD  8   1   2   2   2   3   2   6   2   9   2  11   3  13   3  15   3
M  RAD  8  16   3  18   3  19   3  23   2  28   3  30   3  31   3  33   3
M  RAD  8  34   2  35   3  37   2  41   3  42   2  43   2  47   2  48   2
M  RAD  8  49   2  50   2  51   3  52   2  53   2  54   3  55   2  56   2
M  RAD  8  57   3  58   2  59   2  60   2  65   2  69   2  70   2  72   2
M  RAD  5  73   2  74   2  75   2  81   2  88   2
M  END
$$$$
