
     RDKit          3D

 95 98  0  0  0  0  0  0  0  0999 V2000
   -8.6441   -0.7069    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6536   -0.3604   -0.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9316    0.9750   -0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9093    0.9465    0.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7595    0.0503    0.3034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8689    0.3251   -0.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5706    1.8155   -1.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9675    2.3864    0.0823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3800    3.6507    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1656    4.7927    0.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6039    6.0641    0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2559    6.1974   -0.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4654    5.0615   -0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0160    3.7821   -0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1800    2.5813   -0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3949    2.3696   -1.5785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0437    1.6473    0.6042 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2612    0.2301    0.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7300    0.0557    0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5764    0.3625    0.9896 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653   -0.4723   -1.1602 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4773   -1.0893   -1.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5835   -0.0668   -1.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6075    1.0241   -2.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6494    1.9525   -2.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6787    1.7981   -1.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6749    0.7098   -0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8152    0.5206    0.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0410    0.0797   -0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8592   -1.2482   -0.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2082   -1.9587   -0.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8907   -2.2212    0.3923 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6065   -1.2763    1.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2287    0.1239    0.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6249   -0.2224   -0.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1417   -0.6120    1.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6350   -0.6808    1.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2842    0.3696    2.0295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3145   -1.9443    1.7025 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5078   -2.1869    0.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0172   -3.6365    1.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1275   -4.1903    0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5371   -3.8530    0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9485   -3.8035   -1.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5705   -1.1281    1.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2439   -1.2470    2.2090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3959    0.1064    0.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1229   -0.8676    1.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1771   -1.6470    0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2224   -0.2812   -1.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9131   -1.1753   -0.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4291    1.2606   -1.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6832    1.7671   -0.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4308    0.6805    1.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5414    1.9800    0.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8754   -0.1409   -0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3195   -0.1061   -1.7733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4789    2.3919   -1.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8640    1.9028   -1.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2135    4.6899    0.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2132    6.9477    0.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8223    7.1822   -0.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5785    5.1763   -0.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1921    2.0055    1.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3263   -0.1398   -0.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4769   -0.5424   -1.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5141   -1.5796   -2.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6103   -1.8874   -0.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8194    1.1531   -2.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6649    2.7897   -2.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4815    2.5237   -1.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9935    1.5003    1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5432   -0.1962    1.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2012   -1.9069   -0.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3824   -1.1105   -1.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600   -1.3435   -1.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0250   -2.9243   -1.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5033   -1.1817    2.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7853   -1.6663    2.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0899    0.8103    1.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0871    0.5204    0.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6234   -1.0720    0.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2997   -0.1897    2.5465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2609   -1.6424    1.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7815   -2.7678    2.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1913   -2.1652   -0.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3320   -3.7420    2.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1439   -4.3162    1.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0516   -5.3008    0.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2983   -4.3339    0.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6934   -4.2259    1.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7039   -2.7635    0.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9142   -4.0318   -1.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6511   -4.3862   -1.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1480   -2.7218   -1.4328 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  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 27 35  2  0
 18 36  1  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 42 44  1  0
 40 45  1  0
 45 46  2  0
 45  5  1  0
 14  9  1  0
 35 23  1  0
 34 29  1  0
  1 47  1  0
  1 48  1  0
  1 49  1  0
  2 50  1  0
  2 51  1  0
  3 52  1  0
  3 53  1  0
  4 54  1  0
  4 55  1  0
  6 56  1  0
  6 57  1  0
  7 58  1  0
  7 59  1  0
 10 60  1  0
 11 61  1  0
 12 62  1  0
 13 63  1  0
 17 64  1  0
 18 65  1  0
 21 66  1  0
 22 67  1  0
 22 68  1  0
 24 69  1  0
 25 70  1  0
 26 71  1  0
 28 72  1  0
 28 73  1  0
 30 74  1  0
 30 75  1  0
 31 76  1  0
 31 77  1  0
 33 78  1  0
 33 79  1  0
 34 80  1  0
 34 81  1  0
 35 82  1  0
 36 83  1  0
 36 84  1  0
 39 85  1  0
 40 86  1  0
 41 87  1  0
 41 88  1  0
 42 89  1  0
 43 90  1  0
 43 91  1  0
 43 92  1  0
 44 93  1  0
 44 94  1  0
 44 95  1  0
M  END
$$$$
