REMARK  Name = BDB028325
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.146  -0.560  -0.895  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        0.986  -0.013  -0.328  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.161   0.211  -1.103  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -0.072  -0.117  -2.455  0.00  0.00    +0.119 A 
ATOM      5  N   LIG    1        1.027  -0.633  -3.051  0.00  0.00    -0.262 NA
ATOM      6  C   LIG    1        2.102  -0.846  -2.259  0.00  0.00    +0.119 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.391   0.758  -0.517  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -2.602   0.041  -0.584  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.776   0.559  -0.018  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.745   1.796   0.616  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -4.980   2.335   1.206  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -6.100   1.551   1.081  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -6.963   1.905   1.483  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -6.166   0.337   0.470  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -4.996   3.422   1.773  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.553   2.522   0.695  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -5.079  -0.153  -0.057  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.385   2.003   0.132  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -5.143  -1.520  -0.747  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -6.503  -2.070  -0.702  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -6.787  -2.110   0.280  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -7.134  -1.366  -1.093  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3   7
BRANCH   1  25
ATOM     23  C   LIG    1        5.688  -0.256   0.387  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        4.515  -0.051  -0.343  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        3.354  -0.816  -0.095  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        3.401  -1.803   0.914  0.00  0.00    +0.060 A 
ATOM     27  C   LIG    1        4.579  -2.005   1.644  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        5.712  -1.235   1.380  0.00  0.00    +0.047 A 
BRANCH  23  30
ATOM     29  C   LIG    1        6.902   1.433  -0.772  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        6.862   0.426   0.232  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
BRANCH  26  31
ATOM     31  C   LIG    1        2.263  -2.627   1.215  0.00  0.00    +0.100 C 
ATOM     32  N   LIG    1        1.344  -3.287   1.474  0.00  0.00    -0.191 NA
ENDBRANCH  26  31
ENDBRANCH   1  25
TORSDOF 6