REMARK  Name = BDB049304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.826  -1.251  -0.760  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1        0.397  -1.218  -0.789  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.013  -2.229  -1.651  0.00  0.00    +0.139 A 
ATOM      4  N   LIG    1       -1.272  -2.564  -1.984  0.00  0.00    -0.237 NA
ATOM      5  C   LIG    1       -2.199  -1.790  -1.364  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.957  -0.739  -0.472  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        1.102  -2.858  -2.126  0.00  0.00    -0.345 N 
ATOM      8  H   LIG    1        1.072  -3.632  -2.774  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1       -0.614  -0.453  -0.177  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        2.227  -2.280  -1.595  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        4.600   1.244   1.326  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        3.530   1.801   0.622  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        2.631   0.986  -0.075  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        2.765  -0.405  -0.043  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        3.802  -0.967   0.709  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        4.697  -0.146   1.405  0.00  0.00    +0.023 A 
BRANCH  11  17
ATOM     17  N   LIG    1        5.422   2.055   2.116  0.00  0.00    -0.358 N 
ATOM     18  H   LIG    1        5.505   3.009   1.778  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        6.325   1.642   2.327  0.00  0.00    +0.142 HD
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   6  20
ATOM     20  C   LIG    1       -3.055   0.029   0.134  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -4.062   0.606  -0.662  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -5.107   1.338  -0.088  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -5.152   1.498   1.291  0.00  0.00    +0.117 A 
ATOM     24  C   LIG    1       -4.173   0.941   2.101  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -3.129   0.211   1.525  0.00  0.00    +0.012 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -6.151   2.203   1.893  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1       -6.757   2.531   1.209  0.00  0.00    +0.292 HD
ENDBRANCH  23  26
ENDBRANCH   6  20
TORSDOF 4