REMARK  Name = BDB016205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.490  -1.470   0.588  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -1.722  -0.821   0.236  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.709   0.581   0.265  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.993   0.941   0.894  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.886   1.426   0.262  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.659   1.254  -1.018  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.537   0.052  -0.998  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.064  -1.165  -0.643  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.789  -1.854  -0.789  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.715   0.133  -1.361  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.685   1.309   1.558  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.811  -1.635  -0.185  0.00  0.00    +0.058 A 
ATOM     13  C   LIG    1       -2.686  -3.056  -0.143  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1       -3.808  -3.988  -0.542  0.00  0.00    +0.046 C 
ATOM     15  C   LIG    1       -1.485  -3.652   0.258  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -0.398  -2.869   0.605  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        3.056   0.778   1.652  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1        2.680   0.597   0.297  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        1.521  -0.122  -0.040  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        0.726  -0.714   0.950  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1        1.123  -0.585   2.284  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        2.273   0.137   2.625  0.00  0.00    +0.024 A 
BRANCH  17  24
ATOM     23  C   LIG    1        4.467   1.911   3.349  0.00  0.00    +0.125 C 
ATOM     24  N   LIG    1        4.234   1.471   1.984  0.00  0.00    -0.346 N 
ATOM     25  H   LIG    1        4.422   2.218   1.307  0.00  0.00    +0.146 HD
ENDBRANCH  17  24
BRANCH  18  26
ATOM     26  C   LIG    1        3.506   1.159  -0.809  0.00  0.00    +0.044 C 
ATOM     27  N   LIG    1        4.797   1.256  -0.754  0.00  0.00    -0.303 NA
ATOM     28  H   LIG    1        5.127   0.839   0.131  0.00  0.00    +0.186 HD
BRANCH  26  29
ATOM     29  C   LIG    1        2.828   1.663  -2.037  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1        3.603   1.992  -3.293  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1        2.736   0.770  -3.254  0.00  0.00    +0.010 C 
ENDBRANCH  26  29
ENDBRANCH  18  26
ENDBRANCH   1  20
TORSDOF 4