REMARK  Name = BDB006135
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.764   0.247   0.799  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.339  -1.127   0.792  0.00  0.00    -0.254 N 
ATOM      3  C   LIG    1       -0.360  -2.102   0.454  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.400  -3.318   0.530  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.791  -1.327   0.037  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.989  -1.607  -0.465  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        2.554  -0.369  -0.620  0.00  0.00    -0.264 N 
ATOM      8  C   LIG    1        1.724   0.669  -0.206  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.577   0.030   0.210  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -1.708  -0.070  -2.185  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -1.919   1.172  -1.361  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.490   1.304  -0.017  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -1.750   2.530   0.644  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.408   3.585   0.011  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.823   3.439  -1.303  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.631   4.734  -2.095  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.584   2.249  -1.984  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.631  -1.416   1.333  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1       -3.422  -2.523   0.941  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1       -3.081  -3.487  -0.166  0.00  0.00    +0.045 C 
ATOM     21  C   LIG    1       -4.660  -2.757   1.582  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -5.152  -1.892   2.553  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -4.407  -0.778   2.897  0.00  0.00    +0.043 A 
ATOM     24 CL   LIG    1       -5.003   0.317   4.085  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -3.169  -0.539   2.297  0.00  0.00    +0.043 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        2.014   2.147  -0.232  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        1.973   2.717  -1.649  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        3.284   2.543   0.514  0.00  0.00    +0.014 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        3.856  -0.318  -1.260  0.00  0.00    +0.177 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.034  -0.850  -0.430  0.00  0.00    +0.161 C 
BRANCH  30  31
ATOM     31  O   LIG    1        5.210  -0.071   0.760  0.00  0.00    -0.388 OA
ATOM     32  H   LIG    1        4.805  -0.604   1.479  0.00  0.00    +0.210 HD
ENDBRANCH  30  31
BRANCH  30  33
ATOM     33  C   LIG    1        4.965  -2.336  -0.059  0.00  0.00    +0.189 C 
BRANCH  33  34
ATOM     34  O   LIG    1        4.079  -2.529   1.043  0.00  0.00    -0.392 OA
ATOM     35  H   LIG    1        3.171  -2.506   0.663  0.00  0.00    +0.210 HD
ENDBRANCH  33  34
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 8