YF00272
     RDKit          3D

 98103  0  0  1  0  0  0  0  0999 V2000
  -14.0156    0.5001    5.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2839    4.8681   -2.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3531    3.4168   -5.1773 C   0  0  0  0  0  1  0  0  0  0  0  0
  -13.1292    1.1950    4.2860 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.5618    3.5898   -3.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3692    5.3907   -3.6476 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.2821    1.8651    3.1814 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0422    3.9371   -4.1765 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.5699    2.3169   -2.9573 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.4669    2.4178    1.9969 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.9577    3.9957   -3.2709 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.7198    2.3430   -3.9982 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.6597   -0.3850    1.0092 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.3165   -9.5239   -0.8393 C   0  0  0  0  0  2  0  0  0  0  0  0
  -17.7090   -0.0848   -0.7413 C   0  0  0  0  0  1  0  0  0  0  0  0
  -13.6063    2.7625   -2.9612 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.6277    1.0673   -2.2479 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.8072   -0.6352   -2.2169 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.0456   -1.1237   -1.7393 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.1086   -0.3267   -0.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1768   -0.4836   -1.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5178   -8.7956   -0.3807 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.3826   -4.7209    0.1637 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.8160   -2.7906    0.2169 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.6214   -2.0098   -0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4357    0.3873   -1.8126 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.0586    0.0196    0.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2744    0.5951   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4460    0.6544    0.1319 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.3770    2.0505   -1.7027 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.1969   -0.1979   -1.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594   -1.1654   -0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8725   -9.3910   -0.1100 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.6935   -5.2483    0.2355 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.1624   -3.3500    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4448    0.2555    1.0768 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.5676    1.0733   -0.6728 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.5243    2.7250   -0.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6714    0.6057    0.4230 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.7260    1.9043    0.4881 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.0811   -0.2260    0.0142 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.3206   -0.7099    0.4664 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.0035   -8.4908    0.3365 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.3102   -6.4990    0.2788 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.8565   -4.4558    0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3070   -2.5371    0.1740 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.8374    0.3512   -1.9115 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.7699   -0.3932    4.4553 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.8443    0.7448    1.8521 C   0  0  0  0  0  2  0  0  0  0  0  0
  -17.8908    2.2435    1.9863 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.6493   -7.0500    0.6386 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.6546   -3.0330    0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4225   -0.5785    2.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9555   -1.2062   -1.9630 C   0  0  0  0  0  1  0  0  0  0  0  0
  -10.7690    1.0513   -3.3089 C   0  0  0  0  0  1  0  0  0  0  0  0
  -16.8051    1.5174    2.7763 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.7251   -1.9092    0.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7243    8.3333    0.4603 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.8608    7.2869    1.1884 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.1038    0.2761    1.4449 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.6252    8.1971   -0.7776 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.5496    5.7766    0.9906 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.7466    1.4109    2.3344 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.8801    6.9585   -1.6560 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.7543    4.5966    0.1893 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.7931    3.2415    1.7261 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.3346    5.5176   -1.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1517    3.2852    3.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6180    4.8123   -0.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5676    5.9132   -2.6460 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.5279    4.7642   -2.5650 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1212  -10.2098   -1.2825 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.7998   -2.1625   -1.6273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8960    0.7104   -1.9433 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.9258   -0.1480    2.1028 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8095    2.8320    0.9075 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3207    0.2363    0.5498 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9837  -10.6611   -0.0757 O   0  0  0  0  0  1  0  0  0  0  0  0
  -11.3561    2.1305   -0.2151 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8776    1.0930   -0.4290 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5166   -1.5738    0.2254 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.3496   -7.3915   -0.2484 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5827   -2.3205    0.5259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5073   -0.1447   -0.4135 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2199    1.0244   -1.3973 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.8226   -1.5983   -1.7861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7682    0.4739    2.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9748    3.7957   -0.2402 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2213   -8.8502    0.1837 O   0  0  0  0  0  1  0  0  0  0  0  0
   12.1086   -5.0657    0.3440 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3543   -6.3714    1.4494 O   0  0  0  0  0  1  0  0  0  0  0  0
   -9.8041   -1.6410    2.5233 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2336   -0.6919    0.6929 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.8730   -2.1395   -0.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1589    2.4432    3.3157 N   0  0  0  0  0  2  0  0  0  0  0  0
   15.4570    3.3023    0.5679 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5745    4.1683    3.7858 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9451   -0.1341    6.3915 C   0  0  0  0  0  3  0  0  0  0  0  0
  1  4  1  0
  1 98  3  0
  2  5  1  0
  2 70  1  0
  2 71  2  0
  3  5  1  0
  4  7  1  0
  5  8  1  0
  5  9  1  0
  6 11  1  0
  7 10  1  0
 10 76  1  0
 11 16  1  0
 13 20  2  0
 13 75  1  0
 14 72  1  0
 15 80  1  0
 16 12  1  0
 16 30  1  0
 17  9  1  0
 17 26  1  0
 17 74  1  0
 18 19  2  0
 18 31  1  0
 19 32  1  0
 20 21  1  0
 20 84  1  0
 21 74  1  0
 21 86  2  0
 22 14  1  0
 22 33  1  0
 22 82  1  0
 23 34  2  0
 23 35  1  0
 24 35  1  0
 24 83  1  0
 25 73  2  0
 25 81  1  0
 25 83  1  0
 26 31  1  0
 27 36  1  0
 27 75  1  0
 27 84  2  0
 28 77  2  0
 28 85  1  0
 30 38  1  0
 30 85  1  0
 31 41  2  0
 32 42  2  0
 32 81  1  0
 33 43  1  0
 33 78  1  0
 34 45  1  0
 35 46  2  0
 36 29  1  0
 36 87  1  0
 37 29  1  0
 37 47  1  0
 37 79  1  0
 38 79  1  0
 38 88  2  0
 39 28  1  0
 39 49  1  0
 39 80  1  0
 40 50  1  0
 40 80  1  0
 41 42  1  0
 43 51  1  0
 43 89  1  0
 44 51  1  0
 44 82  1  0
 44 90  1  0
 45 52  2  0
 45 90  1  0
 46 52  1  0
 47 54  1  0
 47 55  1  0
 48 53  1  0
 49 56  1  0
 50 56  1  0
 51 91  1  0
 52 57  1  0
 53 87  1  0
 53 92  2  0
 57 93  1  0
 57 94  2  0
 58 59  1  0
 58 61  1  0
 59 62  1  0
 60 63  1  0
 60 93  1  0
 61 64  1  0
 62 65  1  0
 63 95  1  0
 64 67  1  0
 65 69  1  0
 65 96  1  0
 66 68  1  0
 66 96  1  0
 67 69  3  0
 68 95  1  0
 68 97  2  0
 76 79  1  0
M  RAD  8   3   2   4   3   6   2   7   3   8   2   9   3  10   3  11   3
M  RAD  8  12   2  13   2  14   3  15   2  16   2  17   2  18   2  19   2
M  RAD  8  22   2  23   2  24   3  26   3  29   3  30   2  33   2  34   2
M  RAD  8  36   2  37   2  39   2  40   3  41   2  42   2  43   2  44   2
M  RAD  8  46   2  47   2  48   2  49   3  50   3  51   2  54   2  55   2
M  RAD  8  56   3  58   3  59   3  60   3  61   3  62   3  63   3  64   3
M  RAD  8  65   2  66   3  70   2  72   2  74   2  78   2  81   2  85   2
M  RAD  5  89   2  91   2  93   2  95   2  98   2
M  END
$$$$
