REMARK  Name = BDB048150
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.091  -0.851   0.669  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1        1.259  -0.197   1.024  0.00  0.00    +0.135 A 
ATOM      3  N   LIG    1        2.439  -0.853   1.021  0.00  0.00    -0.216 NA
ATOM      4  C   LIG    1        2.451  -2.172   0.724  0.00  0.00    +0.136 A 
ATOM      5  N   LIG    1        1.343  -2.885   0.447  0.00  0.00    -0.239 NA
ATOM      6  C   LIG    1        0.181  -2.205   0.439  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.796  -2.893   0.772  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        4.221  -3.045   2.242  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1        4.857  -2.075   0.011  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1        3.719  -4.291   0.128  0.00  0.00    +0.019 C 
ENDBRANCH   4   7
BRANCH   1  12
ATOM     11  N   LIG    1       -1.979  -0.077  -0.491  0.00  0.00    -0.293 N 
ATOM     12  C   LIG    1       -1.219  -0.194   0.686  0.00  0.00    +0.252 C 
ATOM     13  O   LIG    1       -1.607   0.197   1.788  0.00  0.00    -0.270 OA
BRANCH  11  14
ATOM     14  C   LIG    1       -3.402   0.302  -0.309  0.00  0.00    +0.090 C 
ATOM     15  C   LIG    1       -4.034   1.151  -1.437  0.00  0.00    +0.103 C 
ATOM     16  N   LIG    1       -5.448   1.480  -1.194  0.00  0.00    -0.314 NA
ATOM     17  H   LIG    1       -5.512   2.043  -0.344  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -6.244   0.263  -1.017  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1       -5.725  -0.594   0.136  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -4.254  -0.956  -0.057  0.00  0.00    +0.025 C 
ENDBRANCH  11  14
BRANCH  11  21
ATOM     21  C   LIG    1       -1.500  -0.467  -1.831  0.00  0.00    +0.111 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -0.622   0.174  -4.095  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -0.992   0.700  -2.705  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1        0.206   1.423  -2.093  0.00  0.00    +0.009 C 
ENDBRANCH  21  23
ENDBRANCH  11  21
ENDBRANCH   1  12
BRANCH   2  25
ATOM     25  N   LIG    1        1.247   1.180   1.310  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1        0.467   1.382   1.941  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        2.496   1.710   1.851  0.00  0.00    +0.177 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.405   3.161   2.189  0.00  0.00    +0.122 A 
ATOM     29  O   LIG    1        2.378   3.486   3.514  0.00  0.00    -0.466 OA
ATOM     30  C   LIG    1        2.287   4.839   3.588  0.00  0.00    +0.195 A 
ATOM     31  C   LIG    1        2.248   5.389   2.328  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        2.326   4.305   1.421  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   2  25
TORSDOF 8