REMARK  Name = BDB014100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.532   0.599  -1.568  0.00  0.00    +0.043 C 
ATOM      2  C   LIG    1       -0.038   0.668  -1.267  0.00  0.00    +0.157 C 
ATOM      3  N   LIG    1        0.196  -0.521  -0.465  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.017  -1.192  -0.254  0.00  0.00    +0.255 C 
ATOM      5  O   LIG    1       -1.212  -2.216   0.382  0.00  0.00    -0.269 OA
ATOM      6  C   LIG    1       -2.084  -0.479  -0.987  0.00  0.00    +0.077 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.452  -0.955  -0.033  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1        1.629  -1.993   0.812  0.00  0.00    +0.118 A 
ATOM      9  N   LIG    1        2.907  -2.364   1.213  0.00  0.00    -0.285 N 
ATOM     10  C   LIG    1        4.058  -1.724   0.796  0.00  0.00    +0.164 A 
ATOM     11  N   LIG    1        5.106  -2.296   1.349  0.00  0.00    -0.129 NA
ATOM     12  N   LIG    1        4.655  -3.326   2.140  0.00  0.00    -0.134 NA
ATOM     13  C   LIG    1        3.929  -0.627  -0.111  0.00  0.00    -0.004 A 
ATOM     14  C   LIG    1        5.126   0.124  -0.635  0.00  0.00    +0.047 C 
ATOM     15  C   LIG    1        3.340  -3.366   2.056  0.00  0.00    +0.135 A 
ATOM     16  C   LIG    1        2.443  -4.320   2.743  0.00  0.00    +0.088 C 
ATOM     17  C   LIG    1        2.676  -0.279  -0.498  0.00  0.00    +0.032 A 
ENDBRANCH   3   7
BRANCH   2  18
ATOM     18  C   LIG    1        0.323   1.976  -0.567  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1        0.013   2.203   0.786  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        0.335   3.417   1.398  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        0.963   4.418   0.663  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        1.357   5.914   1.415  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        1.272   4.218  -0.680  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        0.951   3.004  -1.294  0.00  0.00    +0.007 A 
ENDBRANCH   2  18
BRANCH   1  26
ATOM     25  C   LIG    1       -3.205   2.427  -1.851  0.00  0.00    +0.125 C 
ATOM     26  N   LIG    1       -2.142   1.566  -2.377  0.00  0.00    -0.348 N 
ATOM     27  H   LIG    1       -1.446   2.160  -2.833  0.00  0.00    +0.146 HD
ENDBRANCH   1  26
BRANCH   6  28
ATOM     28  C   LIG    1       -3.488  -0.913  -1.119  0.00  0.00    +0.049 C 
ATOM     29  N   LIG    1       -4.269  -0.650  -2.115  0.00  0.00    -0.303 NA
ATOM     30  H   LIG    1       -3.753  -0.068  -2.793  0.00  0.00    +0.186 HD
BRANCH  28  31
ATOM     31  C   LIG    1       -4.055  -1.743  -0.030  0.00  0.00    +0.038 C 
ATOM     32  C   LIG    1       -5.437  -1.456   0.513  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -4.233  -1.162   1.355  0.00  0.00    +0.010 C 
ENDBRANCH  28  31
ENDBRANCH   6  28
TORSDOF 5