REMARK  Name = BDB021287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.713   0.288  -0.320  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.112   0.918  -1.450  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.062   1.613  -1.230  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.409   2.204  -2.422  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.539   1.778  -3.324  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.675   1.685   0.033  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.102   1.132   1.068  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.476   0.980  -2.717  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.068   0.434   0.859  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.370  -3.053  -0.652  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        5.209  -2.108  -0.540  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        5.162  -1.126   0.461  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        3.989  -0.368   0.555  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        2.952  -0.518  -0.376  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        3.148  -1.461  -1.379  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1        4.234  -2.264  -1.471  0.00  0.00    -0.258 NA
BRANCH  12  17
ATOM     17  N   LIG    1        6.121  -1.026   1.483  0.00  0.00    -0.357 N 
ATOM     18  H   LIG    1        6.146  -0.116   1.934  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        7.049  -1.335   1.211  0.00  0.00    +0.142 HD
ENDBRANCH  12  17
ENDBRANCH   1  14
BRANCH   5  20
ATOM     20  C   LIG    1        0.613   2.105  -4.715  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1        0.638   2.394  -5.840  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -1.869   2.353   0.218  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.021   2.406   1.224  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.097   1.874  -0.413  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.498   0.525   0.110  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.156   0.348   1.323  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.565   1.336   2.350  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.467   0.448   3.207  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -5.099  -0.934   3.001  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -4.468  -0.926   1.785  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -4.144  -2.068   1.081  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -3.489  -1.915  -0.139  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -3.174  -0.634  -0.610  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -2.530  -0.523  -1.782  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6