BB-1705
     RDKit          2D

 98108  0  0  1  0  0  0  0  0999 V2000
  -15.7558   -5.5767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3440   -2.1842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5337   -4.4130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6243   -2.3752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4815   -4.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3099    2.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5373    3.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1764    5.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8373    0.3191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1302   -2.0270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8570    0.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041    1.9696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2385   -3.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4499   -4.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7483   -3.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8612   -4.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0277   -5.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6499   -2.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3515   -4.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9037   -4.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2021   -2.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7433   -1.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0782   -1.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3576   -3.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6559   -2.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6033   -0.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6628    0.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2725   -2.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6140    2.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2422    1.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5231   -1.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5605    3.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1701   -0.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7334    2.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7424    1.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0572    3.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3068    2.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6041    4.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4754    4.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7836    5.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1424    5.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6697    5.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8896    3.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9557    7.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5167    7.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4306    6.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8567    5.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7555    2.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1637    9.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3373    0.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9916    6.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3382    2.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    2.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3472    1.4791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4964    3.9338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7645    1.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8986    0.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6154   -0.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7495   -1.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1667   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4499    0.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3159    1.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3008   -1.9568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0176   -3.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1517   -4.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6003   -3.9210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5690   -3.9203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8685   -5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7194   -8.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8535   -9.3211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5703  -10.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7043  -11.7759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1530  -11.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7031   -4.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1203   -4.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4035   -2.9378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8208   -2.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1040   -0.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5213   -0.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8045    0.9908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2217    1.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5049    2.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9222    3.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4199   -6.3751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2544   -5.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6717   -4.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9712   -6.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9549   -3.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2054    4.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6227    5.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9059    6.8836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8806    7.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6052    9.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0782    9.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2640    7.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3922    7.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5775    6.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0
  1 16  1  0
  2 13  1  0
  2 18  1  0
  3 17  1  0
  3 18  1  0
  4 15  1  0
  4 21  1  0
  5 20  1  0
  5 24  1  0
  6 27  1  0
  6 32  1  0
  7 34  1  0
  7 37  1  0
  8 40  1  0
  8 42  1  0
  9 35  1  0
  9 50  1  0
 10 31  2  0
 11 48  1  0
 12 52  1  0
 12 53  1  0
 13 15  1  0
 13 16  1  0
 14 15  1  0
 14 17  1  0
 16 19  1  0
 17 20  1  0
 18 19  1  0
 18 22  1  0
 20 21  1  0
 21 23  1  0
 22 26  1  0
 23 25  1  0
 24 25  1  0
 24 28  1  0
 26 27  1  0
 27 29  1  0
 28 31  1  0
 29 36  1  0
 30 33  1  0
 30 34  1  0
 30 35  1  0
 31 33  1  0
 32 36  1  0
 32 39  1  0
 34 38  1  0
 35 37  1  0
 36 47  2  0
 37 43  1  0
 38 40  1  0
 39 41  1  0
 40 46  1  0
 41 42  1  0
 42 44  1  0
 43 48  1  0
 44 45  1  0
 45 46  1  0
 45 49  1  0
 46 51  2  0
 48 52  1  0
 53 54  1  0
 53 55  2  0
 54 56  1  0
 56 57  1  0
 57 62  1  0
 57 58  2  0
 58 59  1  0
 59 60  2  0
 60 61  1  0
 60 63  1  0
 61 62  2  0
 63 64  1  0
 64 65  1  0
 64 66  2  0
 65 67  1  0
 65 68  1  0
 67 75  1  0
 68 69  1  0
 69 70  1  0
 70 71  1  0
 71 72  1  0
 72 73  1  0
 72 74  2  0
 75 76  1  0
 75 85  2  0
 76 77  1  0
 76 86  1  0
 77 78  1  0
 78 79  1  0
 78 89  2  0
 79 80  1  0
 80 81  1  0
 81 82  1  0
 82 83  1  0
 83 84  1  0
 84 90  1  0
 86 87  1  0
 86 88  1  0
 90 91  1  0
 91 92  1  0
 92 96  1  0
 92 93  1  0
 93 94  1  0
 93 97  2  0
 94 95  2  0
 95 96  1  0
 96 98  2  0
M  END
>  <s_m_entry_id>  (1) 
31

>  <s_m_entry_name>  (1) 
entry

>  <r_f3d_energy>  (1) 
0

>  <i_f3d_flags>  (1) 
0

$$$$
