REMARK  Name = BDB004463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.034  -1.529  -0.652  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -1.035  -0.642  -1.051  0.00  0.00    +0.189 C 
ATOM      3  C   LIG    1       -2.227  -1.230  -0.341  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -1.835  -2.335   0.421  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -2.740  -3.054   1.179  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -4.078  -2.645   1.160  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -4.483  -1.540   0.390  0.00  0.00    +0.002 A 
ATOM      8 CL   LIG    1       -2.302  -4.414   2.131  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -3.555  -0.825  -0.370  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -0.390  -2.521   0.215  0.00  0.00    +0.251 C 
ATOM     11  O   LIG    1        0.292  -3.398   0.707  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -0.802   0.825  -0.714  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -0.799   1.814  -1.715  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -0.573   3.157  -1.401  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.348   3.532  -0.080  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -0.057   5.183   0.303  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -0.355   2.577   0.932  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.583   1.235   0.618  0.00  0.00    +0.010 A 
ENDBRANCH   2  12
BRANCH   2  19
ATOM     19  O   LIG    1       -1.229  -0.847  -2.439  0.00  0.00    -0.364 OA
ATOM     20  H   LIG    1       -1.041  -1.790  -2.573  0.00  0.00    +0.213 HD
ENDBRANCH   2  19
BRANCH   1  21
ATOM     21  C   LIG    1        1.406  -1.402  -1.118  0.00  0.00    +0.146 C 
BRANCH  21  25
ATOM     22  C   LIG    1        3.781   1.256   1.329  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1        3.354   0.026   1.838  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        2.594  -0.836   1.044  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        2.248  -0.480  -0.268  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        2.693   0.750  -0.776  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        3.451   1.615   0.019  0.00  0.00    +0.019 A 
BRANCH  22  29
ATOM     28  N   LIG    1        5.178   2.865   2.808  0.00  0.00    -0.191 NA
ATOM     29  C   LIG    1        4.553   2.144   2.146  0.00  0.00    +0.099 C 
ENDBRANCH  22  29
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 5