REMARK  Name = BDB009555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.743  -0.319   0.738  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.294   0.223  -0.179  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.345  -0.814  -0.698  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -0.969  -2.253  -0.334  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -0.684  -2.306   1.164  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.589  -1.519   1.423  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        1.418  -1.942   2.234  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -1.035   1.412   0.437  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -1.451   1.415   1.779  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -2.145   2.508   2.307  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.435   3.603   1.497  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -3.290   4.945   2.148  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -2.040   3.615   0.163  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.346   2.524  -0.366  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -1.644  -0.646  -2.183  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -0.745  -1.066  -3.175  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -1.042  -0.876  -4.526  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        0.078  -1.396  -5.725  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -2.232  -0.266  -4.911  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.133   0.159  -3.936  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.841  -0.029  -2.583  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.063   0.369   0.873  0.00  0.00    +0.102 C 
BRANCH  22  24
ATOM     23  C   LIG    1        3.018  -0.167  -1.478  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        3.156  -0.335   0.027  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1        2.066   1.907   0.686  0.00  0.00    +0.181 C 
BRANCH  25  26
ATOM     26  O   LIG    1        3.370   2.483   0.811  0.00  0.00    -0.381 OA
ATOM     27  C   LIG    1        3.780   2.656   2.161  0.00  0.00    +0.194 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   5  28
ATOM     28  C   LIG    1       -0.509  -3.755   1.635  0.00  0.00    +0.133 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.800  -3.885   3.110  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -1.846  -4.341   3.548  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        0.186  -3.433   3.911  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        0.936  -3.014   3.421  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 9