
     RDKit          3D

 77 81  0  0  0  0  0  0  0  0999 V2000
    0.0040    4.2528    1.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3898    3.8730    0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9110    3.9167   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3553    3.3836   -1.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3943    1.9013   -1.4618 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6567    1.2726   -1.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3264    0.4370   -0.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2748   -0.9472   -1.1692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1824   -2.0313   -0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4711   -1.8860    1.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3305   -2.9695    1.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9252   -4.2111    1.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6559   -4.3771    0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7820   -3.2957   -0.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4070   -3.4928   -2.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8899   -3.6909   -2.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9852   -2.7073   -1.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1082   -1.2479   -2.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8116   -0.1747   -1.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7126   -0.2593   -0.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9890    0.3568    0.5874 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2669    0.9317    0.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3161    1.8272    1.8116 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5422    0.4485    0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588   -0.2756   -0.7858 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9314   -0.6116   -0.9315 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6278   -0.1334    0.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7930    0.5777    0.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1867    1.1033    2.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7180    1.0476    2.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3466   -0.2360    1.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826   -0.3485    0.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0679    0.0245    1.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3528    0.2681    1.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6433   -0.4792    0.0323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1478    1.1977   -1.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3367    1.6891   -2.5369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3767    5.2586    1.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1084    4.2682    1.6623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4033    3.5116    2.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0945    4.5727   -0.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062    2.8593   -0.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2311    4.9792    0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4363    3.3646    0.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    3.7856   -2.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3635    3.8096   -1.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4566    0.6497   -2.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3845    2.0284   -2.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8386    0.6296    0.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3899    0.7315   -0.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8104   -0.9443    1.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5335   -2.8489    3.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8129   -5.0504    2.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3315   -5.3460   -0.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9321   -4.3918   -2.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7757   -2.6607   -2.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6685   -3.6280   -3.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6221   -4.7197   -2.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0645   -3.0404   -1.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1889   -2.7898   -0.5893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4193   -1.1156   -3.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1305   -1.0925   -2.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0442   -1.3141   -0.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172    0.2299   -1.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2990   -1.1902   -1.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    2.1557    2.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6899    0.4964    3.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1836    1.9333    1.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9437    1.0985    3.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9239   -1.1256    2.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4422   -0.2189    2.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6643    0.4295   -0.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4006   -1.3429    0.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2549    0.6426    2.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -1.0462    1.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0559   -0.0475    2.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276    1.3451    1.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 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  1  0
 30 31  1  0
 31 32  1  0
 21 33  1  0
 33 34  1  0
 34 35  1  0
 19 36  1  0
 36 37  2  0
 36  5  1  0
 14  9  1  0
 35 19  1  0
 28 24  1  0
 32 27  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  2 42  1  0
  3 43  1  0
  3 44  1  0
  4 45  1  0
  4 46  1  0
  6 47  1  0
  6 48  1  0
  7 49  1  0
  7 50  1  0
 10 51  1  0
 11 52  1  0
 12 53  1  0
 13 54  1  0
 15 55  1  0
 15 56  1  0
 16 57  1  0
 16 58  1  0
 17 59  1  0
 17 60  1  0
 18 61  1  0
 18 62  1  0
 20 63  1  0
 20 64  1  0
 26 65  1  0
 29 66  1  0
 29 67  1  0
 30 68  1  0
 30 69  1  0
 31 70  1  0
 31 71  1  0
 32 72  1  0
 32 73  1  0
 33 74  1  0
 33 75  1  0
 34 76  1  0
 34 77  1  0
M  END
$$$$
