
     RDKit          3D

 82 85  0  0  0  0  0  0  0  0999 V2000
   -5.9317   -1.5300   -3.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4484   -1.3990   -1.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3342    0.0731   -1.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9510    0.2324    0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5919   -0.2604    0.4360 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4259   -1.5388    1.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2313   -2.3263    0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8889   -3.3781    1.5066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5922   -3.5511    2.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4513   -3.7639    3.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8168   -3.8263    3.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575   -3.6909    3.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8339   -3.5244    1.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5663   -3.4784    1.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4823   -3.4586   -0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2574   -4.2921   -0.8576 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2568   -2.5374   -1.0502 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176   -1.1284   -0.6666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8408   -0.8497   -0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7787   -1.5485   -0.7411 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265    0.2349    0.6298 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4725    0.5216    1.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2339    1.4284    0.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5632    1.9414    0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4841    2.2028   -0.2897 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8379    0.9885   -0.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6235    0.0638   -1.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4127    0.7942   -1.1191 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0019   -0.2072   -1.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4065   -0.4967   -2.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5654   -1.2120   -3.3128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5726   -0.0494   -1.5714 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5838    1.0257   -0.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9378    2.3555   -1.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8254    3.5361   -0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9827    4.1489    0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8775    5.2267    1.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6183    5.6972    1.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4632    5.0890    0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5638    4.0129    0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5387    0.7123    0.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3972    1.3149    1.6607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9198   -1.0407   -3.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2031   -1.0626   -3.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0367   -2.6025   -3.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4614   -1.9005   -1.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1688   -1.9175   -1.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3175    0.5710   -1.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5944    0.5924   -1.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6964   -0.2966    0.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0260    1.3080    0.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3367   -2.1704    1.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2737   -1.3346    2.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3711   -1.6391    0.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4762   -2.7522   -0.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312   -3.8405    4.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9143   -3.9678    5.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391   -3.7293    3.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300   -3.4688    1.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5496   -2.8290   -2.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7754   -0.9001    0.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    0.8096    0.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0240   -0.4253    1.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845    1.0456    2.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5976    2.3239   -0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9919    1.2088    1.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3759    2.8802    1.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6100    0.4596   -0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2933    1.2403   -1.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7121   -0.4190   -2.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6109   -0.7559   -0.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1038    0.8601   -1.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6953   -0.3640   -2.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4905   -0.3763   -1.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5786    1.1182   -0.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2446    2.5140   -2.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9614    2.2971   -1.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9642    3.7913   -0.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7731    5.6935    1.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5378    6.5289    2.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5111    5.4528    1.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3389    3.5448   -0.3133 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  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 18 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 33 41  1  0
 41 42  2  0
 41  5  1  0
 14  9  1  0
 28 23  1  0
 40 35  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  2 46  1  0
  2 47  1  0
  3 48  1  0
  3 49  1  0
  4 50  1  0
  4 51  1  0
  6 52  1  0
  6 53  1  0
  7 54  1  0
  7 55  1  0
 10 56  1  0
 11 57  1  0
 12 58  1  0
 13 59  1  0
 17 60  1  0
 18 61  1  0
 21 62  1  0
 22 63  1  0
 22 64  1  0
 23 65  1  0
 24 66  1  0
 24 67  1  0
 26 68  1  0
 26 69  1  0
 27 70  1  0
 27 71  1  0
 29 72  1  0
 29 73  1  0
 32 74  1  0
 33 75  1  0
 34 76  1  0
 34 77  1  0
 36 78  1  0
 37 79  1  0
 38 80  1  0
 39 81  1  0
 40 82  1  0
M  END
$$$$
