REMARK  Name = BDB022365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.522  -0.665  -0.032  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.076  -0.628   0.326  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.404  -1.377   1.415  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.767  -1.305   1.743  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.652  -0.525   0.992  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.207   0.204  -0.106  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.492  -2.208   2.150  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -0.008  -2.997   3.271  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -1.825  -2.325   1.798  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -2.634  -3.056   2.368  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.844   0.132  -0.430  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.303  -1.496   0.672  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.941   0.188  -1.056  0.00  0.00    -0.334 N 
ATOM     14  H   LIG    1       -1.578   1.126  -0.877  0.00  0.00    +0.147 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -3.743  -0.936  -2.354  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -3.302   0.332  -1.624  0.00  0.00    +0.135 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.308   0.896  -0.620  0.00  0.00    +0.149 A 
ATOM     18  N   LIG    1       -5.356   0.135  -0.241  0.00  0.00    -0.238 NA
ATOM     19  C   LIG    1       -6.184   0.662   0.680  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -6.013   1.910   1.229  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -4.922   2.612   0.776  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -4.059   2.138  -0.141  0.00  0.00    -0.238 NA
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        3.057   0.956  -0.936  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        2.615   1.802  -1.295  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.455   0.928  -1.136  0.00  0.00    +0.054 A 
ATOM     26  C   LIG    1        5.155   2.105  -1.464  0.00  0.00    +0.098 A 
ATOM     27 CL   LIG    1        4.288   3.595  -1.650  0.00  0.00    -0.079 Cl
ATOM     28  C   LIG    1        6.537   2.034  -1.629  0.00  0.00    +0.160 A 
ATOM     29  N   LIG    1        7.251   0.884  -1.495  0.00  0.00    -0.243 NA
ATOM     30  C   LIG    1        6.559  -0.233  -1.194  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        5.187  -0.257  -1.007  0.00  0.00    +0.044 A 
BRANCH  28  32
ATOM     32  C   LIG    1        7.326   3.190  -1.957  0.00  0.00    +0.121 C 
ATOM     33  N   LIG    1        7.951   4.133  -2.223  0.00  0.00    -0.189 NA
ENDBRANCH  28  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6