REMARK  Name = BDB046105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.400   2.247  -0.136  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.764   0.915  -0.216  0.00  0.00    -0.002 A 
ATOM      3  C   LIG    1       -2.144   0.356  -0.334  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1       -2.287  -0.963   0.418  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -1.632  -2.072  -0.248  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -2.172  -2.920  -0.382  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -0.291  -2.301  -0.418  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1        0.732  -1.246  -0.202  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        2.078  -1.652  -0.099  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.107  -0.725   0.058  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        2.833   0.640   0.106  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        1.496   1.040  -0.005  0.00  0.00    +0.048 A 
ATOM     13  O   LIG    1        0.061  -3.429  -0.763  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        0.438   0.136  -0.151  0.00  0.00    +0.016 A 
ATOM     15  N   LIG    1        0.960   2.306  -0.006  0.00  0.00    -0.346 N 
ATOM     16  H   LIG    1        1.501   3.157   0.076  0.00  0.00    +0.167 HD
ENDROOT
BRANCH   1  18
ATOM     17  N   LIG    1       -1.888   4.357  -0.182  0.00  0.00    -0.189 NA
ATOM     18  C   LIG    1       -1.228   3.404  -0.166  0.00  0.00    +0.117 C 
ENDBRANCH   1  18
TORSDOF 1