REMARK  Name = BDB014883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.178   0.015  -0.937  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1       -0.363   0.093  -1.935  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.716  -0.097  -3.172  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.214   0.023  -3.122  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.582  -0.332  -1.937  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.107  -0.289  -1.963  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.554  -0.327  -0.583  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.224  -0.196  -0.104  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.189  -0.335   1.227  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.469  -0.488   1.603  0.00  0.00    -0.259 N 
ATOM     11  C   LIG    1       -3.321  -0.542   0.542  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.787  -0.755   0.540  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -5.223  -1.155  -0.886  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -4.593   0.431  -4.104  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -2.867  -0.716   2.995  0.00  0.00    +0.159 C 
ATOM     16  C   LIG    1       -3.768   0.387   3.554  0.00  0.00    +0.189 C 
ATOM     17  O   LIG    1       -2.944   0.483   4.746  0.00  0.00    -0.375 OA
ATOM     18  C   LIG    1       -1.870  -0.203   4.039  0.00  0.00    +0.189 C 
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1        1.203   0.194  -0.691  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        2.062   0.352  -1.787  0.00  0.00    +0.145 A 
ATOM     21  F   LIG    1        1.545   0.339  -3.027  0.00  0.00    -0.204 F 
ATOM     22  C   LIG    1        3.433   0.527  -1.636  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        4.004   0.545  -0.357  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1        3.175   0.377   0.769  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        1.782   0.209   0.581  0.00  0.00    +0.036 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.435   0.748  -0.251  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.379  -0.074  -0.830  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        7.593   0.459  -0.507  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.891  -0.057  -0.865  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.508   1.589   0.217  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.192   1.756   0.384  0.00  0.00    +0.142 A 
ENDBRANCH  23  26
BRANCH  24  32
ATOM     32  C   LIG    1        3.712   0.368   2.179  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1        4.141   1.595   2.584  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        4.761  -0.484   2.353  0.00  0.00    -0.204 F 
ENDBRANCH  24  32
ENDBRANCH   1  19
TORSDOF 5