cxy0406
     RDKit          3D

121130  0  0  1  0  0  0  0  0999 V2000
    6.6722   -2.0690   -4.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2539   -2.4389   -4.2256 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5358   -1.1127   -4.9986 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.8562   -2.8328   -2.7459 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.0480   -3.2910   -4.3373 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.1423    1.8096    4.1772 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2299   -0.1352   -6.0144 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.6530    3.4317    4.3847 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6160    1.6536   -5.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8311    2.0365   -4.1548 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.3322   -2.8711   -1.2767 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.8715   -0.5026   -6.8811 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4819    1.8711   -4.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3404   -3.2895   -5.1889 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.6255    1.5317    2.7286 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.9647   -3.1129    0.2316 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.4282    1.9182   -2.8869 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.0945    3.0457    2.9269 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.3852   -2.5335   -6.4952 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.7222   -1.3249   -7.2105 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7024    1.6274   -3.1866 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.3163   -4.2311    3.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844   -3.5653    1.5805 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.5217   -1.5649    2.8966 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.8998   -2.4222    4.6323 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.4845   -4.2462    4.2265 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.9964   -6.0384    3.7583 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.9405   -5.6271    2.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333    1.6502   -1.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7652   -0.8079    4.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2437    1.5430   -1.9084 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9915    2.6627    0.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7425   -4.3490    3.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1502   -4.2839    2.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5775   -2.4013    1.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7601   -0.2196    2.8243 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.6670   -3.3289    4.3719 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3160   -5.2082    3.9748 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2295    1.5447   -0.3779 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.4743    0.1548    5.2547 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.9166   -3.1273    3.6138 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.1398   -3.9155    4.7689 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.0516   -1.2864    6.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9011   -1.7579    0.5388 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.9818    0.3978    1.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9022   -0.1000    6.5732 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.3005   -2.6371    4.9466 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.2189    3.2704    1.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0584   -0.3666    0.4369 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.9217    1.8330    1.4754 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.2791   -0.5796   -0.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1304    3.1258   -1.1677 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1412   -0.5446   -1.3308 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6086   -2.7116   -0.1493 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.9079    6.3290    3.6299 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9302   -2.8442   -0.2299 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3781   -2.7379   -6.9079 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.5702    4.1400   -0.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7858    2.9855   -1.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2507    0.8457   -1.9601 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.7767   -1.7835   -0.5434 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7273   -3.4458    0.1286 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.7731   -3.5533   -0.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9618   -2.4199   -1.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1118    5.5030    3.4438 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9487    5.4804    4.6450 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.4993   -2.9499   -5.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7802   -2.7083   -6.6206 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.6392    4.9401    0.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2818    3.5461    0.3763 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.8576    3.6364   -0.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8403   -6.0317   -2.4824 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.6156   -3.9419   -2.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7111   -2.7717   -2.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2956    4.6591    0.2871 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.0253    6.4246    4.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1734    6.1607    1.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5241   -3.4202   -2.9604 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.7500   -2.6807   -3.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3980   -1.5061   -6.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6604    7.1898    5.8049 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.9399    6.9241    3.3106 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.6078   -1.1258   -5.1525 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.7350   -0.8988   -6.6793 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.5472   -2.2924   -6.4153 N   0  0  0  0  0  1  0  0  0  0  0  0
    7.3431   -1.0776   -4.6207 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2505   -3.0878   -4.1474 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.7642    2.8152    5.1753 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9464    1.8290   -5.6358 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3497    0.5695   -6.5748 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7773   -5.6815    1.4704 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0760   -4.4041    4.2826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0925   -1.0259    3.1676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7304    2.3169   -5.1741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7513    2.2627    1.9608 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3710   -3.7605    1.7481 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.6175   -3.8057    2.0492 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.8050   -1.4834    5.0533 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3938   -6.4666    3.5468 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.7876    3.8203    0.1658 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1103   -5.4396    2.5342 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6006    3.1319    1.2413 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3671    2.7858    1.9174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4157    0.2019    0.0128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2181   -0.0444   -1.4011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7600   -1.9724    7.4021 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7499    7.2666    3.8335 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.4742   -2.4811   -8.0191 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.9911    4.1594    0.0930 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.0804   -1.8529   -0.6415 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.3442    2.1042   -2.4404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9548   -4.0420    0.2864 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9309    4.4642    3.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0371    6.2345    2.5332 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5286    3.2523   -0.7807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5127   -1.9713   -4.7595 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5209   -4.6227   -2.4476 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8055    7.0041    0.4068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7897   -3.3883   -3.3274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3513   -3.9768   -5.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9975    0.5413    5.1714 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 85  1  0
  1 86  2  0
  1 87  1  0
  2  3  1  0
  2  5  1  0
  3  7  1  0
  4 11  1  0
  4 87  1  0
  5 14  1  0
  6 15  1  0
  6 88  1  0
  7 12  1  0
  7 90  1  0
  8 18  1  0
  8 88  1  0
  9 89  1  0
  9 90  1  0
  9 94  2  0
 10 13  2  0
 10 17  1  0
 11 16  1  0
 12 20  2  0
 13 21  1  0
 13 89  1  0
 14 19  1  0
 15 95  1  0
 17 29  2  0
 18 95  1  0
 19 20  1  0
 21 31  2  0
 22 33  1  0
 22 92  2  0
 22 97  1  0
 23 16  1  0
 23 34  1  0
 23 97  1  0
 24 35  2  0
 24 36  1  0
 25 37  1  0
 25 98  1  0
 26 37  1  0
 26 38  1  0
 27 38  1  0
 27 99  1  0
 28 33  1  0
 28 91  2  0
 28 99  1  0
 29 31  1  0
 29 39  1  0
 30 40  1  0
 30 93  2  0
 30 98  1  0
 32 39  1  0
 32 95  1  0
 32100  2  0
 33 41  1  0
 33 42  1  0
 34 96  1  0
 34101  2  0
 35 44  1  0
 35 96  1  0
 36 45  2  0
 39104  1  0
 40 46  1  0
 41 47  1  0
 42 47  1  0
 43 46  1  0
 43 98  1  0
 43106  2  0
 44 49  2  0
 45 49  1  0
 45 50  1  0
 48102  1  0
 48103  2  0
 48109  1  0
 50102  1  0
 51104  1  0
 51105  2  0
 51110  1  0
 52 58  2  0
 52 59  1  0
 53 60  1  0
 53 61  1  0
 54 61  1  0
 54 62  1  0
 55 65  1  0
 55107  1  0
 56 63  2  0
 56 64  1  0
 57 67  1  0
 57108  1  0
 58 69  1  0
 58109  1  0
 59 71  2  0
 59111  1  0
 60111  1  0
 62112  1  0
 63 73  1  0
 63112  1  0
 64 74  2  0
 64110  1  0
 65 66  1  0
 65113  1  6
 65114  1  0
 66 76  1  0
 67 68  1  0
 67116  1  0
 68 80  1  0
 69 75  2  0
 69 77  1  0
 70115  1  0
 71 75  1  0
 71115  1  0
 72117  1  0
 73 78  2  0
 73117  1  0
 74 78  1  0
 74 79  1  0
 76 81  2  0
 76 82  1  0
 77114  1  0
 77118  2  0
 79116  1  0
 79119  2  0
 80 83  1  0
 80 84  2  0
 82114  1  0
 83116  1  0
120 67  1  0
121 40  1  0
M  RAD  8   2   3   3   3   4   3   5   3   6   3   7   2   8   3  10   2
M  RAD  8  11   3  12   2  14   3  15   3  16   3  17   2  18   3  19   3
M  RAD  8  20   2  21   2  23   2  24   2  25   3  26   3  27   3  31   2
M  RAD  8  36   2  37   3  38   3  39   2  40   2  41   3  42   3  44   2
M  RAD  8  46   3  47   3  49   2  50   3  52   2  53   3  54   3  55   3
M  RAD  8  56   2  57   3  60   3  61   3  62   3  66   3  68   3  70   2
M  RAD  8  72   2  75   2  78   2  81   3  82   3  83   3  84   3  85   3
M  RAD  8  87   2  88   2  89   2  96   2  97   2  99   2 107   2 108   2
M  RAD  3 109   2 110   2 121   2
M  END
$$$$
