REMARK  Name = BDB063030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.031   1.561   0.798  0.00  0.00    +0.196 A 
ATOM      2  N   LIG    1        0.143   0.507   1.645  0.00  0.00    -0.295 N 
ATOM      3  H   LIG    1       -0.467   0.382   2.434  0.00  0.00    +0.172 HD
ATOM      4  C   LIG    1        1.167  -0.389   1.526  0.00  0.00    +0.260 A 
ATOM      5  O   LIG    1        1.282  -1.337   2.295  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        2.103  -0.137   0.406  0.00  0.00    +0.066 A 
ATOM      7  C   LIG    1        1.843   0.942  -0.348  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1        0.791   1.804  -0.175  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        3.256  -1.001   0.134  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        4.409  -1.012   0.932  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        4.546  -0.137   2.146  0.00  0.00    +0.066 C 
ATOM     12  N   LIG    1        5.481  -1.804   0.659  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1        5.410  -2.609  -0.422  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        4.317  -2.666  -1.265  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.228  -1.848  -0.983  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
BRANCH   1  16
ATOM     16  N   LIG    1       -1.091   2.393   0.997  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1       -1.076   3.134   0.298  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.446   1.938   1.247  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.140   1.561  -0.030  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -3.156   0.265  -0.538  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -2.509  -0.976  -0.046  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1       -3.240  -1.999  -0.914  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1       -3.718  -1.341  -2.108  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -3.796  -0.022  -1.740  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -4.430   0.946  -2.492  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -4.426   2.251  -2.004  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -3.788   2.545  -0.792  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1       -3.796   3.814  -0.359  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4