REMARK  Name = BDB013964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.863  -0.707  -0.623  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.863  -0.076   0.361  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.262   0.733   1.211  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.509  -0.271   0.134  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.083  -1.589   0.314  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.584  -2.732  -0.339  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.196  -3.988  -0.124  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.294  -4.128   0.716  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.805  -3.011   1.351  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.543  -2.694  -1.332  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.210  -1.762   1.148  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.829  -2.220  -0.690  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.210  -0.095  -1.171  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.203  -0.259  -0.246  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.285   0.335   0.582  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        4.122  -0.469  -2.338  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.489   0.543  -0.597  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        6.310  -0.542   0.095  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        4.632   2.798  -0.262  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.154   1.600   0.393  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.003   1.856   0.896  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.312   0.905   0.521  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.607   1.097  -0.253  0.00  0.00    -0.019 A 
ATOM     24  C   LIG    1       -3.742   1.737   0.320  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.892   1.875  -0.496  0.00  0.00    +0.071 A 
ATOM     26  C   LIG    1       -6.027   2.479   0.029  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -6.069   2.965   1.335  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.949   2.852   2.143  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1       -4.945   1.454  -1.768  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1       -3.845   0.886  -2.295  0.00  0.00    +0.112 A 
ATOM     31  C   LIG    1       -3.796   2.246   1.642  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -2.670   0.699  -1.596  0.00  0.00    +0.025 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5