
     RDKit          3D

 84 87  0  0  0  0  0  0  0  0999 V2000
   10.4705   -0.6963    0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3765    0.3556   -0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2749    1.3051    1.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0396   -0.3001   -0.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4008   -1.1093    0.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1639   -1.6969    0.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5399   -1.4910   -0.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2873   -2.0890   -1.0910 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4264   -1.8375   -2.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8076   -0.4396   -2.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1142   -0.2615   -0.8500 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6855   -0.1637   -0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0467   -0.2828   -1.7602 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0485    0.0854    0.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6921   -1.1882    1.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1836   -1.0902    2.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3680   -0.7359    3.3800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4986   -1.5167    2.8849 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7278   -1.3310    2.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8072   -2.2959    2.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0430   -2.3354    1.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1191   -3.2201    0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2499   -3.2284   -0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3083   -2.3525    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2384   -1.4663    1.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1115   -1.4571    2.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1917    0.1070    2.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0538    0.6635    3.3544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8468    0.8388    1.1626 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3729    2.1742    1.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9947    0.3274   -0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7793    0.6611   -1.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2351    1.9258   -0.7151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4546    2.7006   -1.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0177    3.1812   -2.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2926    4.0367   -3.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0006    4.4211   -3.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4215    3.9365   -2.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1316    3.0605   -1.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4347    2.4774   -0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6219    3.0129    0.3887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8611    1.2341    0.5321 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1858   -0.7017   -1.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4217   -0.1099   -1.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2612   -1.3094    1.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5357   -1.3669   -0.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4558   -0.1995    0.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6870    0.9713   -0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4704    2.0514    1.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2329    1.8510    1.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0548    0.7476    2.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578   -1.2855    1.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6815   -2.3102    1.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6075   -2.5868   -2.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9744   -1.9708   -3.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5961    0.3357   -2.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1139   -0.3005   -2.9808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6936   -0.2185    0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8481    0.3226    1.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5099   -1.4127    0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0104   -2.0495    1.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6179   -1.7085    3.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5330   -1.5943    1.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3777   -3.3206    2.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0851   -2.0121    3.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3004   -3.8946    0.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3035   -3.9107   -0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1811   -2.3590   -0.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0556   -0.7831    1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0660   -0.7578    2.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7978    2.6658    0.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5569    2.8210    1.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1717    2.0951    2.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1781   -0.7625   -0.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8961    0.7771   -0.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9995   -0.1156   -0.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0889    0.6582   -2.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0332    2.9192   -3.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7384    4.4145   -4.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414    5.0882   -3.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5942    4.2315   -1.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7657    1.2119    1.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7455   -0.5382   -2.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8953    0.4976   -2.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 19 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 40 42  1  0
  7 43  1  0
 43 44  2  0
 44  4  1  0
 42 14  1  0
 26 21  1  0
 39 34  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  2 48  1  0
  3 49  1  0
  3 50  1  0
  3 51  1  0
  5 52  1  0
  6 53  1  0
  9 54  1  0
  9 55  1  0
 10 56  1  0
 10 57  1  0
 11 58  1  0
 14 59  1  0
 15 60  1  0
 15 61  1  0
 18 62  1  0
 19 63  1  0
 20 64  1  0
 20 65  1  0
 22 66  1  0
 23 67  1  0
 24 68  1  0
 25 69  1  0
 26 70  1  0
 30 71  1  0
 30 72  1  0
 30 73  1  0
 31 74  1  0
 31 75  1  0
 32 76  1  0
 32 77  1  0
 35 78  1  0
 36 79  1  0
 37 80  1  0
 38 81  1  0
 42 82  1  0
 43 83  1  0
 44 84  1  0
M  END
$$$$
