REMARK  Name = BDB045208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.326   0.069   1.583  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1        0.819  -0.559   1.071  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        1.930   0.201   0.711  0.00  0.00    +0.128 A 
ATOM      4  N   LIG    1        1.934   1.548   0.849  0.00  0.00    -0.240 NA
ATOM      5  C   LIG    1        0.833   2.140   1.357  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1       -0.305   1.455   1.737  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        3.099  -0.384   0.186  0.00  0.00    -0.256 N 
ATOM      8  C   LIG    1        3.395  -1.736   0.062  0.00  0.00    +0.221 C 
ATOM      9  O   LIG    1        2.703  -2.705   0.332  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        4.816  -1.849  -0.434  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1        5.094  -0.472  -1.047  0.00  0.00    +0.045 C 
ATOM     12  C   LIG    1        4.230   0.438  -0.171  0.00  0.00    +0.123 C 
BRANCH  11  13
ATOM     13  C   LIG    1        6.555  -0.090  -1.166  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        7.537  -1.063  -1.412  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        8.882  -0.710  -1.553  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        9.267   0.624  -1.466  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        8.306   1.606  -1.249  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.961   1.254  -1.109  0.00  0.00    +0.004 A 
ENDBRANCH  11  13
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.538  -0.743   1.985  0.00  0.00    +0.151 C 
BRANCH  19  26
ATOM     20  C   LIG    1       -5.359  -0.234   0.117  0.00  0.00    +0.042 C 
ATOM     21  N   LIG    1       -4.218  -0.787  -0.583  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1       -4.393  -1.417  -1.361  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -3.012  -0.989  -0.003  0.00  0.00    +0.182 C 
ATOM     24  N   LIG    1       -2.198  -1.754  -0.647  0.00  0.00    -0.272 NA
ATOM     25  H   LIG    1       -1.295  -1.841  -0.187  0.00  0.00    +0.189 HD
ATOM     26  N   LIG    1       -2.734  -0.401   1.214  0.00  0.00    -0.240 N 
ATOM     27  C   LIG    1       -3.644   0.462   1.819  0.00  0.00    +0.224 C 
ATOM     28  O   LIG    1       -3.494   0.924   2.954  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1       -4.831   0.901   0.992  0.00  0.00    +0.122 C 
ATOM     30  C   LIG    1       -5.977  -1.354   0.984  0.00  0.00    +0.032 C 
BRANCH  20  32
ATOM     31  C   LIG    1       -7.690   0.819  -0.336  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -6.400   0.257  -0.950  0.00  0.00    +0.006 C 
ATOM     33  C   LIG    1       -5.835   1.295  -1.933  0.00  0.00    +0.009 C 
ENDBRANCH  20  32
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 5