REMARK  Name = BDB058453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.829  -1.656   3.844  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -1.885  -1.430   2.429  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.777  -1.344   1.580  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.243  -1.201   0.275  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.375  -1.136  -0.799  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        1.010  -1.176  -0.546  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        1.458  -1.333   0.788  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -2.648  -1.173   0.317  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        0.567  -1.414   1.867  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -3.064  -1.370   1.657  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -4.208  -1.482   2.066  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        1.899  -1.137  -1.641  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        1.435  -0.978  -2.530  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.242  -0.682  -1.702  0.00  0.00    +0.147 A 
ATOM     15  C   LIG    1        3.976  -0.899  -2.866  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1        3.315  -1.650  -4.266  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1        5.281  -0.462  -2.863  0.00  0.00    +0.138 A 
ATOM     18  N   LIG    1        5.859   0.150  -1.812  0.00  0.00    -0.217 NA
ATOM     19  C   LIG    1        5.087   0.326  -0.718  0.00  0.00    +0.253 A 
ATOM     20  N   LIG    1        3.797  -0.076  -0.631  0.00  0.00    -0.194 NA
BRANCH  19  21
ATOM     21  N   LIG    1        5.656   0.978   0.431  0.00  0.00    -0.206 N 
ATOM     22  N   LIG    1        6.947   1.419   0.469  0.00  0.00    -0.172 NA
ATOM     23  C   LIG    1        7.082   1.953   1.683  0.00  0.00    +0.135 A 
ATOM     24  C   LIG    1        5.907   1.874   2.446  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1        5.004   1.246   1.622  0.00  0.00    +0.118 A 
ENDBRANCH  19  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  26
ATOM     26  C   LIG    1       -3.531  -1.130  -0.828  0.00  0.00    +0.130 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.490   0.195  -1.607  0.00  0.00    +0.056 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.532   1.253  -1.190  0.00  0.00    +0.062 C 
ATOM     29  C   LIG    1       -4.457   1.623   0.289  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -4.350   2.517  -2.040  0.00  0.00    +0.041 C 
BRANCH  28  31
ATOM     31  O   LIG    1       -5.842   0.739  -1.443  0.00  0.00    -0.389 OA
ATOM     32  H   LIG    1       -5.968   0.669  -2.404  0.00  0.00    +0.210 HD
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 7