
     RDKit          3D

 77 81  0  0  0  0  0  0  0  0999 V2000
    9.7251   -1.0891    0.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6236   -0.1222    0.8883 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6368   -0.2940   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5707    0.6159   -0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5297    0.3929   -1.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8964    0.1268   -2.3558 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1285    0.3258   -0.8455 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4664    1.4302   -0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9402    1.3561   -0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3883   -0.0229    0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0852   -0.1563   -0.0715 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    0.9759    0.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4577    1.8568   -0.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5861    2.8079   -0.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0541    2.2675   -0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4873    2.2100   -1.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9960    3.2339    0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1532    0.8668    0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4646    0.3207    0.3512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8197   -0.8938    0.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1807   -1.0963    1.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6174   -2.2418    1.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6965   -3.2058    2.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3384   -3.0372    2.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8853   -1.9028    1.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5217   -1.8288    1.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0317   -2.2191   -0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8846   -2.7740   -1.1261 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4968   -3.0945   -2.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1921   -2.8416   -2.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2881   -2.2865   -1.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6829   -1.9834   -0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6511   -1.4591    0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2111   -1.1809   -0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3123   -0.7268   -1.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5628    1.7356    0.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5817    1.9104    1.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6136    0.9707    1.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5373    1.1485    2.5605 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8874   -1.4064    2.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5096   -2.0025    0.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6554   -0.6269    0.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6640   -1.1496   -0.7123 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3907    0.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    2.3996   -0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6574    1.5319   -1.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5325    2.1972    0.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5590   -0.0827    1.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2921    1.5915    1.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6907    0.6251    1.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8119    1.2185   -1.4666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6331    2.4784   -1.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5145    3.7540   -0.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3742    3.0938    0.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5546    1.9106   -1.8291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8898    1.4731   -2.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3674    3.2045   -2.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7368    3.2804    1.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0553    2.9080    0.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9152    4.2596    0.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8213    0.9133    1.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5046    0.2139   -0.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9022   -0.3424    0.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6697   -2.3769    2.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0355   -4.0908    2.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6350   -3.8041    2.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2080   -3.5332   -3.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8817   -3.0766   -3.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2810   -2.0943   -2.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1211   -2.2464    0.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0661   -1.3898    1.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6869   -1.7859    0.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5687   -1.8667   -1.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9422   -1.6075   -1.7131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8583   -0.3436   -2.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8025    2.4996    0.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5812    2.7867    2.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 10 34  1  0
 34 35  1  0
  4 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 38  2  1  0
 35  7  1  0
 33 11  1  0
 25 20  1  0
 32 27  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  3 43  1  0
  8 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
 10 48  1  0
 12 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
 14 53  1  0
 14 54  1  0
 16 55  1  0
 16 56  1  0
 16 57  1  0
 17 58  1  0
 17 59  1  0
 17 60  1  0
 18 61  1  0
 18 62  1  0
 21 63  1  0
 22 64  1  0
 23 65  1  0
 24 66  1  0
 29 67  1  0
 30 68  1  0
 31 69  1  0
 33 70  1  0
 33 71  1  0
 34 72  1  0
 34 73  1  0
 35 74  1  0
 35 75  1  0
 36 76  1  0
 37 77  1  0
M  END
$$$$
