REMARK  Name = BDB062304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.364   0.904   2.047  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.785   1.382   0.650  0.00  0.00    +0.076 C 
ATOM      3  C   LIG    1       -4.204   0.941   0.189  0.00  0.00    +0.017 C 
ATOM      4  C   LIG    1       -4.585   1.709  -1.099  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1       -5.252   1.296   1.266  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1       -4.274  -0.578  -0.066  0.00  0.00    +0.237 C 
ATOM      7  O   LIG    1       -3.589  -0.973  -1.251  0.00  0.00    -0.485 OA
ATOM      8  C   LIG    1       -2.240  -1.230  -1.060  0.00  0.00    +0.207 A 
ATOM      9  C   LIG    1       -1.783  -2.586  -1.507  0.00  0.00    +0.295 A 
ATOM     10  N   LIG    1       -0.418  -2.833  -1.529  0.00  0.00    -0.308 N 
ATOM     11  C   LIG    1        0.523  -1.890  -1.030  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        0.076  -0.651  -0.542  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        1.026   0.219   0.042  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        2.395  -0.086   0.104  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        2.817  -1.295  -0.436  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        1.895  -2.191  -0.984  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        0.031  -4.130  -2.014  0.00  0.00    +0.152 C 
ATOM     18  O   LIG    1       -2.621  -3.427  -1.840  0.00  0.00    -0.264 OA
ATOM     19  C   LIG    1       -1.369  -0.294  -0.625  0.00  0.00    +0.084 A 
ATOM     20  N   LIG    1       -1.745   1.016  -0.314  0.00  0.00    -0.337 N 
ATOM     21  H   LIG    1       -0.991   1.692  -0.359  0.00  0.00    +0.146 HD
ENDROOT
BRANCH  14  22
ATOM     22  N   LIG    1        3.277   0.862   0.658  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        2.846   1.416   1.395  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.662   1.077   0.465  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        5.480   1.560   1.504  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        6.838   1.708   1.254  0.00  0.00    +0.148 A 
ATOM     27 CL   LIG    1        7.956   2.288   2.430  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1        7.434   1.418   0.075  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1        6.637   0.959  -0.907  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        5.272   0.772  -0.759  0.00  0.00    +0.044 A 
BRANCH  25  31
ATOM     31  C   LIG    1        4.931   1.890   2.780  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1        4.423   2.159   3.788  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH  14  22
TORSDOF 3