h00-CPT-La
     RDKit          2D

 75 81  0  0  1  0  0  0  0  0999 V2000
    0.5133    0.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0559   -3.1472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8286    1.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429   -1.6196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5112   -1.0995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6309   -4.8423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9546   -2.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5521   -2.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1953   -4.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0088   -1.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3902   -3.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1289   -2.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5978   -4.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6166   -1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0334   -5.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1693   -2.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9990   -0.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6816   -2.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4463   -0.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8385   -6.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9340    0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8088   -3.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2741   -6.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6766   -7.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8956   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0466   -4.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2198   -8.7848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7175   -8.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0998   -7.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1165   -1.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0377    0.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7970    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4402   -0.0988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3945    2.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1538    3.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7513    4.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5894    3.5092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1869    4.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250    3.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6224    3.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4606    2.6755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420    3.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1039    2.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5064    2.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6683    1.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9589    2.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3157    4.8748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8758   -0.5157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7182    4.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8801    5.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6394    6.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8013    7.7209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5106    5.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1081    6.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6725    6.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9462    5.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2327    1.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6352    1.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7971    1.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1996    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3615    0.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7641    1.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9259    0.1744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3285    0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4904   -0.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5692    2.1868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8929    0.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0548   -0.6593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.5052   -0.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3171   -1.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3684   -2.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9702   -2.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0485    1.1212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7089   -2.9687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0708    2.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0
  1 25  1  0
  2 16  1  0
  3 19  2  0
  4 25  2  0
  5 10  1  0
  5 12  1  0
  5 19  1  0
  6 11  2  0
  6 15  1  0
  7  8  2  0
  7  9  1  0
  7 30  1  0
  8 10  1  0
  8 11  1  0
  9 13  1  0
  9 15  2  0
 11 12  1  0
 12 18  2  0
 13 20  2  0
 14 16  1  0
 14 17  2  0
 14 18  1  0
 15 23  1  0
 16 22  1  0
 16 25  1  0
 17 19  1  0
 17 21  1  0
 20 24  1  0
 20 29  1  0
 22 26  1  0
 23 24  2  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 30 48  1  0
 31 32  1  0
 31 33  2  0
 31 48  1  0
 32 34  1  0
 32 46  1  0
 34 35  1  0
 35 36  1  0
 35 47  2  0
 36 37  1  0
 36 53  1  0
 37 38  1  0
 38 39  1  0
 38 56  2  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 75  1  0
 46 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 53 54  1  0
 53 55  1  0
 57 58  1  0
 57 75  1  0
 58 59  1  0
 59 60  1  0
 60 61  1  0
 61 62  1  0
 62 63  1  0
 63 64  1  0
 64 65  1  0
 64 66  2  0
 65 67  1  0
 67 68  1  0
 68 72  1  0
 68 69  1  0
 69 70  1  0
 69 73  2  0
 70 71  2  0
 71 72  1  0
 72 74  2  0
M  END
>  <s_m_entry_id>  (1) 
65

>  <s_m_entry_name>  (1) 
h00-CPT-La.1

>  <s_m_Source_Path>  (1) 
D:\Project\ADC

>  <s_m_Source_File>  (1) 
h00-CPT-La.sdf

>  <i_m_Source_File_Index>  (1) 
1

>  <version>  (1) 
0

>  <chiral flag>  (1) 
1

>  <r_f3d_energy>  (1) 
0

>  <i_f3d_flags>  (1) 
0

$$$$
