REMARK  Name = BDB054464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.645   0.447   0.023  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.597  -0.064   0.126  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.556   0.874   0.192  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -1.369   2.241   0.166  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -2.661   2.785   0.263  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1       -3.609   1.847   0.346  0.00  0.00    -0.177 NA
ATOM      7  C   LIG    1       -0.061   2.680   0.060  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -2.911   0.683   0.299  0.00  0.00    -0.243 N 
ATOM      9  N   LIG    1        0.936   1.767  -0.010  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.590  -0.605   0.363  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1       -4.382  -0.792   1.672  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -5.798  -0.418   1.331  0.00  0.00    -0.006 C 
ATOM     13  C   LIG    1       -5.943  -0.417  -0.161  0.00  0.00    -0.006 C 
ATOM     14  C   LIG    1       -6.736  -1.390   0.669  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -4.620  -0.791  -0.770  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  16
ATOM     16  N   LIG    1        1.656  -0.517  -0.047  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1        1.207  -1.423  -0.005  0.00  0.00    +0.155 HD
BRANCH  16  22
ATOM     18  C   LIG    1        6.162   1.228  -0.676  0.00  0.00    +0.149 C 
ATOM     19  N   LIG    1        5.080   0.308  -0.396  0.00  0.00    -0.344 N 
ATOM     20  C   LIG    1        5.172  -1.069  -0.312  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1        3.866  -1.535  -0.218  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1        2.994  -0.425  -0.165  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1        3.771   0.700  -0.265  0.00  0.00    +0.109 A 
BRANCH  20  24
ATOM     24  C   LIG    1        6.362  -1.884  -0.362  0.00  0.00    +0.258 C 
ATOM     25  O   LIG    1        6.417  -3.007  -0.852  0.00  0.00    -0.269 OA
ATOM     26  N   LIG    1        7.463  -1.367   0.261  0.00  0.00    -0.324 N 
ATOM     27  H   LIG    1        8.212  -2.035   0.386  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        7.325  -0.701   1.007  0.00  0.00    +0.145 HD
ENDBRANCH  20  24
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 4