YF00080
     RDKit          3D

139152  0  0  1  0  0  0  0  0999 V2000
    4.2627   -1.3317   -1.8855 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.5558   -5.0612    0.7171 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.7065   -6.7649    0.0667 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.8749    0.4190   -2.9769 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.2608   -1.9480   -0.8802 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.9427   -3.7055    0.3056 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.4973   -7.3885   -1.1016 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.6155    1.9076   -3.2883 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.6203    4.8775   -1.3150 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4953    3.9318   -2.5300 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4344    5.2539    0.8024 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.0815    4.7357    2.2143 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.6264    5.4491    4.1691 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.4444    6.7728    4.9507 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.6561    7.8238    6.8228 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.0273    7.7035    8.3207 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.3178    7.5924    9.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3758   -2.6833    0.4925 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.8946   -3.4585    1.5343 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.0763   -2.8755    0.0705 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.1107   -4.4198    2.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8297   -5.2902    3.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2848   -3.8275    0.7094 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.8485    5.6833    9.8314 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.7656   -4.5814    1.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7309   -5.5867    4.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7955    9.6549   -3.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6819    4.5157    4.7756 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.2847    4.4113    9.3988 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.5431    2.0946   10.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5058    4.1993    3.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1578   -1.8399    8.5709 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2548    4.6869    6.1134 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.0597    4.2957    8.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0456    1.5815    8.7236 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.7489   -5.1383    5.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3954   -0.8269    7.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4441    8.5846   -2.6585 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7464   -5.9655    1.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1491   -5.0112    6.8290 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.9485   -5.2263    3.8703 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.3917   -4.9915    5.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8897    8.3100   -2.5627 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.4795    4.9624    1.4072 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2246   -4.6882    7.8294 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.9155    6.6382   -1.1496 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4640   -4.6419    6.1826 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.3892    7.0753   -1.8390 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8943   -4.4702    7.5011 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3578    6.2741   -1.0623 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.8681    4.6803    0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9584    5.2243   -0.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897    3.7748   -0.6470 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.0810    4.8193   -2.0832 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1372    3.4025   -1.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4004   -7.6707   -6.7840 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2076    3.9203   -2.6925 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.3781    2.3323   -2.6139 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.6611   -8.9933   -8.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -6.6528   -6.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6692   -5.3647   -5.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2732   -8.1674   -8.2167 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3613   -6.8966   -7.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3923    1.2398   -3.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5834   -3.0821   -5.6502 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.8085   -7.8220   -9.5892 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.4571   -5.8022   -7.3013 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4809   -4.6581   -6.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4416   -7.4269  -11.0552 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.5427   -2.3451   -6.2672 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.1511   -3.3740   -7.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8503    0.2089   -5.8090 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4046   -0.9601   -6.6439 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.8674    1.4231   -6.5338 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4819   -0.7136   -7.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2013   -1.8022   -8.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1885    1.5989   -7.8750 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5833    0.5740   -8.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0469   -1.5685   -9.5181 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.3803    0.7700   -9.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1348   -0.3140  -10.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3868    2.0976  -10.4462 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.4241   -2.5285   -0.0239 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1989   -7.9415   -2.0835 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0684   -6.2220    1.1046 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1635   -0.8543   -2.7363 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4227    3.1747   -3.6259 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7719    5.7933   -0.3648 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8288    4.3437    3.4599 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3241    7.9553    5.5452 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2681    8.2491   10.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9121   -6.0649    2.7878 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4650   -6.7205    3.8256 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4825    6.8756   10.4851 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.8086    1.2615   10.9460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7376   -6.4513    4.8952 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    4.9325    7.2509 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.7173   10.8727   -3.1444 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.2186    9.2563   -4.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8211    3.0196    3.4046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8192   -5.3681    2.5276 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623    3.3991   10.1798 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.6875    9.2520   -2.8955 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.5369    7.7074   -1.9918 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8856    5.2618    2.7878 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.0597    3.6799    8.8139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6984   -6.2699    0.6614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9499    6.0795   -0.2400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5272    6.5736   -2.1490 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.6887    5.3282   -0.2741 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6772   -8.7344   -7.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7355   -5.1861   -5.2409 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8557   -9.8310   -9.3094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9056    1.2724   -3.2995 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2438    2.0866   -3.4894 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4158   -9.0009   -7.6305 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.6326   -4.4064   -5.9271 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5764    0.1144   -4.4953 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0001   -3.1532   -8.0627 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9344   -0.1803  -11.1766 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3347   -6.4124    1.4260 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.6297   -6.9715   -2.8852 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.1407   -5.8709   -3.8401 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.5934   -4.9469   -4.6852 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8631   -5.0268   -5.7948 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.1078   -5.0955   -6.8820 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9124   -5.6409   -7.9144 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.7701    0.5600    7.9567 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6664    0.1656    8.6322 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.7143   -1.4519    6.7730 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.8269   -2.9765    6.4736 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.5582   -3.9764    7.0930 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2123   -3.3294    8.1124 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.6664   -5.3212    6.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7465   -5.7974    5.7279 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7030   -6.2103    4.6728 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4276   -6.3913    3.6516 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6092   -6.3010    2.6881 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.4432   -6.1454    7.2306 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  1 86  1  0
  2  6  1  0
  2 85  1  0
  3  7  1  0
  3 85  1  0
  4  8  1  0
  4 86  1  0
  5 83  1  0
  6 83  1  0
  7 84  1  0
  8 87  1  0
  9 10  1  0
  9 88  1  0
 10 87  1  0
 11 12  1  0
 11 88  1  0
 12 89  1  0
 13 14  1  0
 13 89  1  0
 14 90  1  0
 15 16  1  0
 15 90  1  0
 16 17  1  0
 17 91  2  0
 17 94  1  0
 18 19  2  0
 18 20  1  0
 19 21  1  0
 20 23  2  0
 21 22  1  0
 21 25  2  0
 22 26  2  0
 22 92  1  0
 23 25  1  0
 24 94  1  0
 25101  1  0
 26 36  1  0
 26 96  1  0
 27 98  1  0
 27 99  2  0
 28 31  1  0
 28 33  1  0
 29 24  1  0
 29 34  1  0
 29102  1  0
 30 35  1  0
 30 95  2  0
 30102  1  0
 31100  2  0
 31105  1  0
 32 37  1  0
 32133  1  0
 33 97  1  0
 34 97  1  0
 34106  2  0
 36 40  2  0
 36 42  1  0
 37129  1  0
 37130  1  0
 38 27  1  0
 38 43  1  0
 38104  1  0
 39101  1  0
 39107  2  0
 40 45  1  0
 41 42  1  0
 41101  1  0
 42 47  2  0
 43 48  1  0
 43103  1  0
 44 51  1  0
 44105  1  0
 45 49  2  0
 46 50  1  0
 46104  1  0
 46108  1  0
 47 49  1  0
 48 50  1  0
 48109  1  0
 50110  1  0
 51 52  1  0
 51 53  2  0
 52 54  2  0
 52108  1  0
 53 55  1  0
 54 57  1  0
 55 57  2  0
 55 58  1  0
 56 60  1  0
 56111  1  0
 58114  1  0
 59 62  1  0
 59111  1  0
 59113  2  0
 60 61  1  0
 60 63  2  0
 61112  2  0
 61117  1  0
 62 63  1  0
 62 66  1  0
 62116  1  1
 63 67  1  0
 64114  1  0
 64115  2  0
 64118  1  0
 65 70  1  0
 65117  1  0
 66 69  1  0
 67 68  2  0
 68 71  1  0
 68117  1  0
 70 71  1  0
 70 73  1  0
 71119  2  0
 72 73  1  0
 72 74  1  0
 72118  1  0
 73 75  1  0
 74 77  1  0
 75 76  2  0
 75 78  1  0
 76 79  1  0
 76119  1  0
 77 78  1  0
 78 80  2  0
 79 81  2  0
 80 81  1  0
 80 82  1  0
 81120  1  0
 84122  1  0
 92 93  1  0
 92121  1  0
 93 96  2  0
122123  1  0
123124  1  0
124125  1  0
126127  1  0
126125  1  0
128 37  1  0
128 35  1  0
129 35  1  0
130131  1  0
131132  1  0
132133  1  0
132134  1  0
134135  1  0
134139  2  0
135136  1  0
136137  1  0
137138  1  0
138 39  1  0
M  RAD  8   1   3   2   3   3   3   4   3   5   3   6   3   7   3   8   3
M  RAD  8   9   3  10   3  11   3  12   3  13   3  14   3  15   3  16   3
M  RAD  8  18   2  19   2  20   2  23   2  24   3  28   3  29   2  32   3
M  RAD  8  33   3  35   2  38   2  40   2  41   3  43   2  44   3  45   2
M  RAD  8  46   2  47   2  48   2  49   2  50   2  53   2  54   2  56   3
M  RAD  8  57   2  58   3  65   3  66   3  67   2  69   2  70   2  72   2
M  RAD  8  73   2  74   3  77   3  79   2  82   2  94   2  97   2  98   2
M  RAD  8 102   2 103   2 105   2 109   2 110   2 116   2 118   2 121   2
M  RAD  8 122   3 123   3 125   3 127   2 128   3 129   3 130   3 131   3
M  RAD  5 133   3 135   3 136   3 137   3 138   3
M  END
$$$$
