REMARK  Name = BDB046627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.074   0.553   0.120  0.00  0.00    +0.132 C 
ATOM      2  C   LIG    1       -0.359  -0.866  -0.415  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.370  -1.897   0.347  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1        0.145  -2.832   0.009  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1        1.752  -1.678   0.425  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        2.294  -0.390   0.454  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.655  -0.185   0.646  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.514  -1.273   0.811  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        3.989  -2.564   0.812  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        4.157   1.194   0.716  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1        5.352   1.432   0.852  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1        3.207   2.186   0.641  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        3.535   3.146   0.684  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        1.869   2.006   0.457  0.00  0.00    -0.174 NA
ATOM     15  C   LIG    1        2.614  -2.761   0.641  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        1.421   0.788   0.329  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1       -1.437   3.264   0.861  0.00  0.00    +0.174 C 
ATOM     18  N   LIG    1       -1.184   2.766  -0.466  0.00  0.00    -0.251 N 
ATOM     19  C   LIG    1       -0.589   1.590  -0.840  0.00  0.00    +0.138 A 
ATOM     20  N   LIG    1       -0.559   1.534  -2.160  0.00  0.00    -0.219 NA
ATOM     21  C   LIG    1       -1.157   2.700  -2.540  0.00  0.00    +0.245 A 
ATOM     22  N   LIG    1       -1.573   3.477  -1.541  0.00  0.00    -0.158 NA
ENDBRANCH   1  19
BRANCH   2  23
ATOM     23  C   LIG    1       -1.847  -1.200  -0.343  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1       -2.633  -1.155  -1.505  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.000  -1.433  -1.451  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.599  -1.759  -0.236  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.834  -1.806   0.927  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.468  -1.525   0.876  0.00  0.00    +0.005 A 
ENDBRANCH   2  23
TORSDOF 2