REMARK  Name = BDB036180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.042  -0.582   1.263  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.553  -0.404  -0.083  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.440  -1.600  -0.510  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.483  -1.900   0.495  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1        1.892  -2.091   1.842  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        1.030  -0.871   2.243  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.745  -1.302   0.422  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1        4.117  -0.236  -0.424  0.00  0.00    +0.235 A 
ATOM      9  F   LIG    1        3.198   0.328  -1.225  0.00  0.00    -0.182 F 
ATOM     10  N   LIG    1        5.346   0.330  -0.502  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1        6.300  -0.204   0.298  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1        6.077  -1.267   1.155  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.794  -1.815   1.205  0.00  0.00    +0.030 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.662   0.414   0.211  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        7.750   1.475  -0.665  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.922   1.663  -1.226  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.999   2.112  -0.980  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.601  -0.015   0.871  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -0.815   0.595   1.689  0.00  0.00    +0.121 C 
BRANCH  19  28
ATOM     20  C   LIG    1       -6.680   0.778  -1.234  0.00  0.00    +0.084 C 
ATOM     21  C   LIG    1       -6.861  -0.254  -0.146  0.00  0.00    +0.182 C 
ATOM     22  O   LIG    1       -7.980  -0.699   0.080  0.00  0.00    -0.290 OA
ATOM     23  C   LIG    1       -5.630  -0.717   0.568  0.00  0.00    +0.119 C 
ATOM     24  C   LIG    1       -4.422   0.156   0.367  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.457   1.162  -0.606  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1       -3.335   1.968  -0.804  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -2.175   1.784  -0.054  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -2.108   0.774   0.916  0.00  0.00    -0.015 A 
ATOM     29  C   LIG    1       -3.240  -0.040   1.119  0.00  0.00    +0.051 A 
ATOM     30 CL   LIG    1       -3.195  -1.305   2.311  0.00  0.00    -0.083 Cl
ATOM     31  N   LIG    1       -5.564   1.408  -1.424  0.00  0.00    -0.248 NA
BRANCH  20  33
ATOM     32  C   LIG    1       -7.968  -0.027  -3.207  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -7.857   1.047  -2.140  0.00  0.00    +0.055 C 
ENDBRANCH  20  33
ENDBRANCH  19  28
ENDBRANCH   1  19
TORSDOF 5