REMARK  Name = BDB048327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.248   5.881   0.530  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.141   4.860   0.497  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.501   3.531   0.314  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.619   2.577   0.194  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1        0.145   1.177   0.353  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.860  -0.049   0.437  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.008  -1.075   0.557  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.217  -0.524   0.566  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -1.185   0.827   0.429  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -2.317   1.780   0.388  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -1.817   3.109  -0.218  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        1.031   5.214   0.638  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.215  -0.092   0.392  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        2.705   0.791   0.346  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.125  -1.174   0.434  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        4.504  -0.893   0.396  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        5.469  -1.913   0.438  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1        6.929  -1.579   0.363  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        5.048  -3.243   0.495  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        3.688  -3.542   0.533  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.739  -2.515   0.505  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1       -2.378  -1.379   0.712  0.00  0.00    +0.144 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.850  -1.932  -0.629  0.00  0.00    +0.027 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.075  -2.785  -0.469  0.00  0.00    -0.009 C 
ATOM     25  C   LIG    1       -5.018  -2.971  -1.628  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -5.445  -2.159  -0.436  0.00  0.00    +0.004 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 5