REMARK  Name = BDB024669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.213   0.874   0.717  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        3.990   0.324   1.126  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        3.912  -0.084   2.536  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        3.319   1.029   3.406  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.189  -1.419   2.678  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        1.783  -1.332   2.123  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.737  -0.640   0.788  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.576  -0.766  -0.012  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.559  -1.494   0.252  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.371  -1.287  -0.764  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1       -0.774  -0.470  -1.705  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.467  -0.102  -1.229  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.488   0.728  -1.692  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.635   0.856  -0.894  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.801   0.175   0.322  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.091   1.226   1.502  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.417  -0.083  -2.983  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -1.484   1.435  -3.256  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1       -1.151   1.111  -4.729  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -0.544  -0.225  -4.247  0.00  0.00    +0.025 C 
ENDBRANCH  11  17
BRANCH   1  22
ATOM     21  C   LIG    1        6.669   1.406  -1.048  0.00  0.00    +0.282 C 
ATOM     22  O   LIG    1        5.395   0.912  -0.633  0.00  0.00    -0.453 OA
ENDBRANCH   1  22
BRANCH  10  23
ATOM     23  C   LIG    1       -2.742  -1.877  -0.870  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.863  -0.870  -0.545  0.00  0.00    +0.135 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.934  -0.310   0.874  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -4.678   0.865   1.093  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.815   1.398   2.376  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.212   0.769   3.459  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.470  -0.393   3.261  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.334  -0.931   1.979  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
BRANCH  24  31
ATOM     31  C   LIG    1       -5.163  -1.516  -1.006  0.00  0.00    +0.313 C 
ATOM     32  O   LIG    1       -5.450  -1.629  -2.192  0.00  0.00    -0.250 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -5.966  -2.015  -0.042  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       -5.662  -1.857   0.874  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  24  31
ENDBRANCH  23  24
ENDBRANCH  10  23
TORSDOF 7