REMARK  Name = BDB064416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.904   0.923  -0.153  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        1.416   0.626   0.667  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.625   1.545  -1.155  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        1.177   2.110  -2.146  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1       -7.215  -1.840   2.280  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -6.577  -0.938   1.351  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -6.938   0.004   1.357  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -5.202  -0.989   1.196  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -4.701  -0.057   0.264  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -3.284   0.204   0.147  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -2.758   0.828  -1.001  0.00  0.00    -0.024 A 
ATOM     12  C   LIG    1       -1.371   1.060  -1.124  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -0.491   0.724  -0.100  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1       -1.012   0.147   1.057  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -3.640   1.230  -2.151  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -5.030   1.545  -1.641  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -2.386  -0.101   1.180  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -5.555   0.353  -0.862  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -4.537  -1.802   1.832  0.00  0.00    -0.252 OA
ENDBRANCH   1  13
BRANCH   3  20
ATOM     20  C   LIG    1        3.102   1.545  -0.954  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        3.768   0.438  -0.406  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        5.162   0.455  -0.223  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1        5.869   1.606  -0.612  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        5.211   2.702  -1.177  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.830   2.669  -1.354  0.00  0.00    +0.013 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.862  -0.703   0.355  0.00  0.00    -0.015 A 
ATOM     27  C   LIG    1        5.718  -1.984  -0.192  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        6.397  -3.044   0.388  0.00  0.00    +0.111 A 
ATOM     29  N   LIG    1        7.199  -2.921   1.466  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1        7.330  -1.683   1.983  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        6.695  -0.562   1.471  0.00  0.00    +0.028 A 
ENDBRANCH  22  26
ENDBRANCH   3  20
TORSDOF 3