YF00357
     RDKit          3D

117120  0  0  1  0  0  0  0  0999 V2000
    9.4479   -6.5518    3.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5052   -5.3753    3.1178 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.4965   -7.4778    3.3885 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.6820   -7.2485    2.2496 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.7008   -5.1210    1.9743 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.7678   -6.0584    1.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0091   -5.8802    0.3179 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.1087   -6.7228   -2.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0265    1.2874   -9.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3774   -5.8293   -0.9907 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6699    0.3892   -7.5717 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9574    5.3260   -3.9182 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7527   -4.7437   -2.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9101   -0.5758   -6.5594 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5619    3.9929   -3.9547 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.9351    5.7858   -4.8034 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.1338    1.0742    5.1671 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.7861   -3.7134    4.3217 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0118   -4.8969    6.1664 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9025   -8.3889    5.4559 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.8194   -9.2779    3.4747 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7647   -8.5505   -0.0494 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2332   -6.3884   -1.2219 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.1818   -4.4316   -2.4591 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.4806   -3.2987   -3.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0304   -1.3454   -5.4616 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.1230    3.1160   -4.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2358   -2.8480    5.6557 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.1820   -3.8151    4.3823 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.8661   -9.3429    0.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4807    4.9173   -5.7468 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.1672    0.8397    2.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2206    0.7130    6.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7378   -1.5336    6.2921 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.5207   -3.5253    3.4441 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3689   -3.5865    3.4142 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9350   -5.8452    6.9480 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.3501   -7.3652    6.4899 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2727   -9.2595    2.0259 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2218   -7.4428   -0.6220 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.2598   -5.3506   -1.8250 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.1081   -1.9338   -4.5117 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8880    1.7131   -4.7795 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0532    3.5966   -5.8011 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.9422    1.4957    1.6548 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.5210    2.4026    3.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9031    0.2963   -4.6043 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.9034    2.4160    1.8268 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7144   -0.5104   -5.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0486    0.4640   -3.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8199    2.0227   -1.7295 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.9113    0.8185   -2.3058 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.7676    4.7240   -2.9547 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.2347   -0.0217   -1.3407 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.5458   -0.2697    1.1801 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9143    0.2872    0.0216 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.3351    4.3093   -1.5728 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9393   -0.1074    2.5846 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.8992    4.0744   -0.2878 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8350    0.6665    1.8501 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2685    2.1834    0.4567 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.3794   10.5100   -2.2877 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.9509    1.7749   -0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0544    3.8680    0.8773 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.4765    9.3606   -0.4963 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.4837    2.5311    1.1057 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.2893    6.2518    1.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3005    6.7498    0.8613 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.4045    8.3584   -1.7865 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.0376    0.9350    2.6433 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.6886    7.3724   -0.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9541    4.4434    3.0217 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.3477    8.2025   -4.4261 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.0977    8.1767   -3.0411 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.6515    6.9163    1.4124 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.1718    6.1452    2.6697 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.5870    8.1194    1.0458 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.5587    8.7617   -3.2483 C   0  0  0  0  0  1  0  0  0  0  0  0
   10.1804   -6.7773    4.9139 O   0  0  0  0  0  1  0  0  0  0  0  0
    8.3650   -6.5048   -2.2485 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7493    2.5013   -9.8238 N   0  0  0  0  0  1  0  0  0  0  0  0
    4.2148    1.5299   -8.3459 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.4734   -7.7437   -2.5241 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.2987    0.2794  -10.0260 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4364   -4.6307   -3.3951 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2218   -5.0622   -1.1147 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.6433   -4.2154   -3.8554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7738   -9.2810   -0.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1258    0.1667    3.3437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1273   -0.2269    6.8514 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.4438   -3.3909    2.6580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583   -6.6400    7.4823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5824   -9.6612    0.4604 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.1897    1.3695    3.8316 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8129   -3.9933    5.1248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3227   -4.0849    5.3678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3557   -9.3823    4.6836 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7520   -3.3573   -3.2594 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.5448    1.3006    7.4167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1989   -1.4459   -4.3485 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0838   -0.3217   -4.2730 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8449    3.3011    3.6972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3424   -0.1811   -6.3189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0728    0.7982   -4.4015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9657   -1.3469   -1.7588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8019    0.9633    0.5206 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9714    7.0865    2.7006 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9603    7.4121   -0.2858 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.1406    9.1217   -1.8137 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8335    4.8991    1.8423 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1859    2.2720   -1.2939 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040    1.5349    1.4077 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8045    6.6148   -0.3126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9842   -2.2184   -1.2472 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.4390    3.8839   -0.1664 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.5023    0.7946    0.2186 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0801    1.6801    0.1401 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  1 79  1  0
  2  5  1  0
  3  4  2  0
  4  6  1  0
  5  6  2  0
  6  7  1  0
  8 10  1  0
  8 80  2  0
  8 83  1  0
  9 81  1  0
  9 82  1  0
  9 84  2  0
 10  7  1  0
 10 86  1  0
 11 14  1  0
 11 82  1  0
 12 15  2  0
 12 16  1  0
 13 24  1  0
 13 85  2  0
 13 86  1  0
 14 26  1  0
 15 27  1  0
 16 31  2  0
 17 33  1  0
 17 94  1  0
 18 35  1  0
 18 95  1  0
 19 37  1  0
 19 96  1  0
 20 38  1  0
 20 97  1  0
 21 39  1  0
 21 97  1  0
 22 40  1  0
 22 93  1  0
 23 40  1  0
 23 41  1  0
 24 41  1  0
 24 98  1  0
 25 42  1  0
 25 87  2  0
 25 98  1  0
 27 43  1  0
 27 44  2  0
 28 34  1  0
 28 95  1  0
 29 36  1  0
 29 96  1  0
 30 39  1  0
 30 88  2  0
 30 93  1  0
 31 44  1  0
 32 45  1  0
 32 89  2  0
 32 94  1  0
 33 90  1  0
 33 99  2  0
 34 90  1  0
 35 91  1  0
 36 91  1  0
 37 92  1  0
 38 92  1  0
 42 26  1  0
 42100  1  0
 45 48  1  0
 45116  1  0
 46 48  1  0
 46 94  1  0
 46102  2  0
 47 43  1  0
 47 49  1  0
 47101  1  0
 49100  1  0
 49103  2  0
 50 52  1  0
 50101  1  0
 50104  2  0
 52 51  1  0
 52 54  1  0
 53 57  1  0
 54105  1  0
 55 58  1  0
 56 54  1  0
 56 55  1  0
 56106  1  0
 57 59  1  0
 58 60  1  0
 59 64  1  0
 59115  1  0
 60106  1  0
 61 63  1  0
 62109  1  0
 63106  1  0
 63111  2  0
 64 66  1  0
 64110  1  0
 65109  1  0
 66 61  1  0
 66112  1  0
 67107  2  0
 67110  1  0
 68 67  1  0
 68 75  1  0
 68108  1  0
 69 71  1  0
 69 74  1  0
 69109  1  0
 70112  1  0
 71108  1  0
 71113  2  0
 72110  1  0
 73 74  1  0
 74 78  1  0
 75 76  1  0
 75 77  1  0
105114  1  0
116117  1  0
M  RAD  8   2   2   3   2   4   2   5   2   7   3  10   2  11   3  12   2
M  RAD  8  14   3  15   2  16   2  17   3  18   3  19   3  20   3  21   3
M  RAD  8  22   3  23   3  24   2  26   3  28   3  29   3  31   2  34   3
M  RAD  8  35   3  36   3  37   3  38   3  39   3  40   3  41   3  42   2
M  RAD  8  43   3  44   2  45   2  47   2  48   3  51   2  52   2  53   2
M  RAD  8  54   2  55   3  56   2  57   3  58   3  59   2  60   3  61   3
M  RAD  8  62   2  64   2  65   2  66   2  68   2  69   2  70   2  72   2
M  RAD  8  73   2  74   2  75   2  76   2  77   2  78   2  79   2  81   3
M  RAD  8  82   2  83   2  86   2  90   2  93   2  98   2 100   2 101   2
M  RAD  4 108   2 114   2 115   2 117   2
M  END
$$$$
