REMARK  Name = BDB004965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.547  -2.258  -0.588  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        2.357  -1.618  -0.259  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        2.170  -0.229  -0.471  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        3.212   0.546  -1.010  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1        3.052   1.877  -1.190  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        1.881   2.419  -0.839  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1        0.838   1.771  -0.329  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        4.412  -0.117  -1.339  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        0.971   0.448  -0.159  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        4.573  -1.503  -1.129  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        5.598   0.584  -1.923  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.668   0.005  -2.087  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.473   1.895  -2.276  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.639   2.417  -2.019  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.301   2.396  -2.567  0.00  0.00    +0.145 HD
ENDBRANCH   8  11
BRANCH   1  17
ATOM     16  C   LIG    1        4.766  -4.297  -0.671  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        3.572  -3.599  -0.335  0.00  0.00    -0.495 OA
ENDBRANCH   1  17
BRANCH   9  18
ATOM     18  N   LIG    1       -0.113  -0.280   0.375  0.00  0.00    -0.320 N 
ATOM     19  H   LIG    1       -0.314  -1.050  -0.261  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.366   0.469   0.634  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.502  -0.561   0.682  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1       -3.503  -0.597  -0.311  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -4.520  -1.558  -0.234  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -4.547  -2.486   0.810  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -3.555  -2.469   1.782  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -2.538  -1.519   1.716  0.00  0.00    +0.009 A 
BRANCH  22  27
ATOM     27  O   LIG    1       -3.395   0.325  -1.321  0.00  0.00    -0.495 OA
ATOM     28  C   LIG    1       -4.431   0.367  -2.293  0.00  0.00    +0.277 C 
ENDBRANCH  22  27
ENDBRANCH  20  21
BRANCH  20  29
ATOM     29  C   LIG    1       -1.252   1.299   1.962  0.00  0.00    +0.111 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -2.468   2.029   2.404  0.00  0.00    -0.306 NA
ATOM     31  C   LIG    1       -2.861   3.051   1.433  0.00  0.00    +0.104 C 
ATOM     32  C   LIG    1       -2.234   2.644   3.712  0.00  0.00    +0.104 C 
ENDBRANCH  29  30
ENDBRANCH  20  29
ENDBRANCH  18  20
ENDBRANCH   9  18
TORSDOF 8