REMARK  Name = BDB039418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.203   0.084   0.069  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        1.289   0.040   0.974  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        2.585   0.170   0.499  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.879   0.132   1.239  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.852   0.421   0.194  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.268   0.445  -1.064  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        4.810   0.525  -2.149  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.819   0.338  -0.860  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        1.801   0.373  -1.789  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.490   0.242  -1.315  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1       -5.262  -2.025   4.224  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.280  -1.488   3.261  0.00  0.00    +0.195 A 
ATOM     13  O   LIG    1       -4.786  -0.705   2.254  0.00  0.00    -0.438 OA
ATOM     14  C   LIG    1       -3.679  -0.360   1.533  0.00  0.00    +0.178 A 
ATOM     15  C   LIG    1       -2.582  -0.947   2.138  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1       -1.319  -0.812   1.685  0.00  0.00    -0.225 NA
ATOM     17  C   LIG    1       -1.188  -0.052   0.568  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1       -2.274   0.576  -0.069  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -3.594   0.430   0.398  0.00  0.00    +0.015 A 
ATOM     20  N   LIG    1       -2.973  -1.659   3.237  0.00  0.00    -0.194 NA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.766   1.094  -0.267  0.00  0.00    +0.123 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.826   0.815  -1.713  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -5.851   1.640  -2.371  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -7.168   0.901  -2.188  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -6.777  -0.553  -1.961  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -5.256  -0.566  -1.998  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  17
BRANCH   5  27
ATOM     27  C   LIG    1        6.285   0.284   0.433  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1        6.763  -1.148   0.148  0.00  0.00    +0.240 C 
ATOM     29  O   LIG    1        6.059  -2.144   0.307  0.00  0.00    -0.273 OA
ATOM     30  N   LIG    1        8.091  -1.284  -0.188  0.00  0.00    -0.255 N 
ATOM     31  H   LIG    1        8.411  -2.230  -0.342  0.00  0.00    +0.158 HD
ATOM     32  C   LIG    1        9.053  -0.307  -0.239  0.00  0.00    +0.219 C 
ATOM     33  O   LIG    1       10.233  -0.590  -0.423  0.00  0.00    -0.275 OA
ATOM     34  C   LIG    1        8.598   1.108   0.034  0.00  0.00    +0.098 C 
ATOM     35  C   LIG    1        7.135   1.297  -0.334  0.00  0.00    +0.041 C 
ENDBRANCH   5  27
TORSDOF 4