REMARK  Name = BDB063576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.058   2.821  -3.095  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.672   1.889  -2.402  0.00  0.00    +0.267 C 
ATOM      3  N   LIG    1       -0.982   1.652  -1.077  0.00  0.00    -0.278 N 
ATOM      4  H   LIG    1       -0.583   0.794  -0.699  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.203   0.828  -2.997  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        0.700  -0.076  -2.121  0.00  0.00    -0.210 NA
ATOM      7  C   LIG    1        1.455  -1.053  -2.634  0.00  0.00    +0.220 A 
ATOM      8  N   LIG    1        1.697  -1.185  -3.948  0.00  0.00    -0.223 NA
ATOM      9  C   LIG    1        1.189  -0.252  -4.778  0.00  0.00    +0.116 A 
ATOM     10  C   LIG    1        0.426   0.800  -4.352  0.00  0.00    +0.053 A 
BRANCH   7  11
ATOM     11  N   LIG    1        2.007  -2.034  -1.817  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        2.483  -2.715  -2.394  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1        2.383  -2.020  -0.466  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        2.368  -0.867   0.330  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.730  -0.918   1.679  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        3.078  -2.133   2.251  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1        3.414  -2.181   3.546  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        3.076  -3.297   1.497  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        2.727  -3.239   0.145  0.00  0.00    +0.026 A 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1       -1.815   2.417  -0.230  0.00  0.00    +0.060 A 
ATOM     21  C   LIG    1       -2.147   1.925   1.053  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.953   2.721   1.884  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -3.401   3.948   1.426  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1       -3.107   4.438   0.209  0.00  0.00    -0.261 NA
ATOM     25  C   LIG    1       -2.326   3.665  -0.588  0.00  0.00    +0.134 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -1.720   0.602   1.548  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -2.171  -0.579   0.930  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -1.775  -1.831   1.404  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -0.938  -1.912   2.509  0.00  0.00    +0.123 A 
ATOM     30  F   LIG    1       -0.564  -3.113   2.968  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -0.488  -0.763   3.147  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -0.873   0.490   2.665  0.00  0.00    +0.011 A 
ENDBRANCH  21  26
ENDBRANCH   3  20
TORSDOF 5