YF00260
     RDKit          3D

105109  0  0  1  0  0  0  0  0999 V2000
    3.4809    0.2325   -5.5769 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.1396    0.8662   -4.1965 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.0876   -6.7708   10.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8297   -7.6654    8.4229 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.6035    1.1807   -2.7801 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.5600   -7.3108    9.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8252    1.2789    2.7732 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.9013    1.1980   -1.4031 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.7741   -8.7603    9.4942 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.6653   -6.3210    8.7115 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.1573    0.9964   -0.0728 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.4384    1.1436    5.8586 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.5213    0.8931    3.5504 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.7619   -1.2829    7.3789 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3132   -4.0690    7.2051 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.4250    0.6282    1.2460 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.3941    0.5785    4.3840 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7141   -5.5477    7.9653 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.0738   -5.8700    5.3949 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.2581   -6.3507    4.3562 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9586   -2.3002    6.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6572   -3.5154    7.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8234   -6.1932    7.0641 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.5703   -0.7117    5.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0041   -2.1250    4.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021   -0.4926    3.5544 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2479   -0.1488    3.8701 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9445   -6.7283    6.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112   -7.7042    4.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4860   -3.0473    5.8661 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.3196   -5.2544    6.8892 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.5547   -0.9096    2.9459 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.4058    0.5948    2.8518 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0154   -0.0261    4.1637 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.0009   -8.0798    5.7507 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1856   -8.5644    4.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4408   -2.2657    2.4070 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.1135   -3.0154    6.3107 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.8829   -5.3252    7.4612 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.6683   -2.7419    1.3836 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.2483   -3.9882    7.1057 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.5460   -3.3808    2.5465 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.4979   -7.2553   11.9435 O   0  0  0  0  0  1  0  0  0  0  0  0
    8.1017   -5.9885   10.9614 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7552   -4.2013    8.0914 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.2083   -2.0967    4.5532 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7474    0.0622    6.3447 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2732   -4.3429    6.1971 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1975    0.1091    2.3464 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2380   -1.9351    5.7438 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0309   -1.4596    4.1770 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.5003   -3.7500    8.0422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8631    1.6890    2.4834 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733    1.3473    4.0386 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4082   -8.1942    2.9942 N   0  0  0  0  0  1  0  0  0  0  0  0
    4.6303    3.6712   -1.9761 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.2291  -10.1084    4.4480 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.1824    1.6084    3.0766 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.3058    1.9372    2.1771 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.9295    2.6253    0.9094 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.8043    3.2855   -0.5446 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.2323   -1.8744   -4.2655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9511   -2.8805   -7.8483 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.9764   -2.0058   -8.1744 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4804   -0.1477   -8.7337 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6169    1.2023  -10.1071 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.8711    5.0828  -12.5075 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.9816    7.3466   -9.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7432    6.2879   -7.4755 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.2210    4.7895   -2.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6075   -0.6569   -3.8697 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.6864   -2.2646   -5.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0564   -3.2107   -6.8282 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7206   -1.3428   -7.5540 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6874   -0.5310   -7.8262 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6775    2.4863  -10.9942 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6746    4.1802  -12.0710 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.9385    5.9443  -13.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9300    7.2577  -11.0176 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.1650    6.2400   -6.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9851    5.0189   -3.9152 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.6015    8.4128   -9.0720 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8800    5.6377   -1.8614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1380   -3.4345   -5.8398 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.9660    7.1994  -12.5141 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.6703    5.1793   -5.3959 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.6272   -0.8578   -6.9445 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586    3.4738  -11.8717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0280   -2.5890   -8.7618 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6307    0.0351   -9.4618 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4109    6.2285   -8.9574 N   0  0  0  0  0  2  0  0  0  0  0  0
  -10.5273   -1.6430   -6.1554 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6595    5.5020  -13.8972 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527    7.1135   -5.6806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9802    0.6368   -3.4308 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.0491    4.4764   -3.4577 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.0514    5.0873   -2.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5967    4.5743   -1.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4508    3.1643   -0.9490 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.6310    1.8976   -1.3003 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.7098    1.0848   -2.0727 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.0398    1.7253   -3.3356 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.3374    3.1135   -3.6333 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.9954    1.4682   -3.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0546    0.4518   -1.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  5  1  0
  3  6  1  0
  3 43  1  0
  3 44  2  0
  4  6  1  0
  5  8  1  0
  6  9  1  0
  6 10  1  0
  7 13  1  0
  8 11  1  0
 11 16  1  0
 13 17  1  0
 14 21  2  0
 14 47  1  0
 15 48  1  0
 16 49  1  0
 17 12  1  0
 17 27  1  0
 18 10  1  0
 18 23  1  0
 18 45  1  0
 19 20  2  0
 19 28  1  0
 20 29  1  0
 21 22  1  0
 21 50  1  0
 22 45  1  0
 22 52  2  0
 23 28  1  0
 24 34  1  0
 24 47  1  0
 24 50  2  0
 25 30  1  0
 25 46  2  0
 25 51  1  0
 27 33  1  0
 27 51  1  0
 28 35  2  0
 29 36  2  0
 30 38  1  0
 30 48  1  0
 31 39  1  0
 31 48  1  0
 32 26  1  0
 32 37  1  0
 32 49  1  0
 33 49  1  0
 33 53  2  0
 34 26  1  0
 34 54  1  0
 35 36  1  0
 36 57  1  0
 37 40  1  0
 37 42  1  0
 38 41  1  0
 39 41  1  0
 54 58  1  0
 55 29  1  0
 56 61  1  0
 58 59  1  0
 59 60  1  0
 60 61  1  0
 62 71  1  0
 62 72  1  0
 63 73  1  0
 64 74  1  0
 65 75  1  0
 66 76  1  0
 67 77  1  0
 67 78  1  0
 68 79  1  0
 68 82  2  0
 68 91  1  0
 69 80  1  0
 69 91  1  0
 70 81  1  0
 70 83  2  0
 70 56  1  0
 72 84  1  0
 72 92  2  0
 73 84  1  0
 74 87  1  0
 75 87  1  0
 76 88  1  0
 77 88  1  0
 78 85  1  0
 78 93  2  0
 79 85  1  0
 80 86  1  0
 80 94  2  0
 81 86  1  0
 89 63  1  0
 89 64  1  0
 90 65  1  0
 90 66  1  0
 95 71  1  0
 96 97  1  0
 97 98  3  0
 98 99  1  0
 99100  1  0
100101  1  0
101102  1  0
101 95  1  0
101105  1  1
102103  1  0
102 95  1  0
102104  1  1
103 96  1  0
M  RAD  8   1   2   2   3   4   2   5   3   7   2   8   3   9   2  10   3
M  RAD  8  11   3  12   2  13   3  14   2  15   2  16   3  17   2  18   2
M  RAD  8  19   2  20   2  23   3  26   3  27   2  30   2  31   3  32   2
M  RAD  8  34   2  35   2  37   2  38   3  39   3  40   2  41   3  42   2
M  RAD  8  43   2  45   2  51   2  55   3  56   2  57   2  58   3  59   2
M  RAD  8  60   3  61   3  63   3  64   3  65   3  66   3  67   3  69   3
M  RAD  8  71   3  73   3  74   3  75   3  76   3  77   3  79   3  81   3
M  RAD  8  84   2  85   2  86   2  91   2  95   2  96   3  99   3 100   3
M  RAD  1 103   3
M  END
$$$$
