REMARK  Name = BDB021282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.277  -0.888   0.150  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.461  -0.701   1.303  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.136  -0.376   1.083  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.439  -0.166   2.315  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.558  -0.431   3.225  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.418  -0.273  -0.205  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.337  -0.445  -1.255  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.727  -0.775   2.594  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.666  -0.753  -1.048  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        4.720  -0.502  -0.434  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        3.714  -1.244   0.199  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        4.122  -2.365   0.933  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        5.469  -2.711   0.993  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        6.378  -1.919   0.316  0.00  0.00    +0.114 A 
ATOM     15  N   LIG    1        6.036  -0.826  -0.397  0.00  0.00    -0.221 NA
BRANCH  10  16
ATOM     16  O   LIG    1        4.339   0.631  -1.130  0.00  0.00    -0.476 OA
BRANCH  16  18
ATOM     17  C   LIG    1        4.867   2.575  -2.400  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1        5.433   1.357  -1.692  0.00  0.00    +0.227 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  11
BRANCH   5  19
ATOM     19  C   LIG    1        0.461  -0.369   4.652  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1        0.339  -0.311   5.806  0.00  0.00    -0.189 NA
ENDBRANCH   5  19
BRANCH   6  21
ATOM     21  N   LIG    1       -1.751   0.030  -0.379  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -1.872   0.262  -1.366  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.757  -0.976  -0.042  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.127  -0.463  -0.380  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.704   0.628   0.264  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.197   1.464   1.379  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.220   2.599   1.326  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.422   2.120   0.682  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -5.989   1.051  -0.057  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.754   0.424  -1.020  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.192  -0.663  -1.688  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.898  -1.093  -1.366  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.398  -2.149  -2.024  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 7