REMARK  Name = BDB018250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.940  -1.118  -0.345  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -2.337  -0.696  -0.150  0.00  0.00    +0.135 A 
ATOM      3  C   LIG    1       -3.347  -1.489  -0.547  0.00  0.00    +0.116 A 
ATOM      4  C   LIG    1       -3.088  -2.802  -1.183  0.00  0.00    +0.255 A 
ATOM      5  O   LIG    1       -4.043  -3.489  -1.538  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -1.754  -3.154  -1.325  0.00  0.00    -0.317 N 
ATOM      7  C   LIG    1       -1.413  -4.424  -1.947  0.00  0.00    +0.152 C 
ATOM      8  C   LIG    1       -0.727  -2.321  -0.917  0.00  0.00    +0.101 A 
ENDROOT
BRANCH   1  12
ATOM      9  N   LIG    1        2.115   0.409   0.804  0.00  0.00    -0.264 N 
ATOM     10  N   LIG    1        1.522   1.532   0.341  0.00  0.00    -0.178 NA
ATOM     11  C   LIG    1        0.341   1.102  -0.115  0.00  0.00    +0.143 A 
ATOM     12  C   LIG    1        0.171  -0.290   0.040  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        1.339  -0.710   0.640  0.00  0.00    +0.117 A 
BRANCH   9  15
ATOM     14  C   LIG    1        3.798   1.798   2.050  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1        3.448   0.447   1.417  0.00  0.00    +0.134 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.511  -0.005   0.427  0.00  0.00    -0.023 A 
ATOM     17  C   LIG    1        5.332  -1.104   0.729  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        6.317  -1.523  -0.168  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.495  -0.850  -1.375  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.690   0.243  -1.687  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.706   0.665  -0.792  0.00  0.00    +0.006 A 
ENDBRANCH  15  16
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  22
ATOM     22  O   LIG    1       -2.475   0.526   0.472  0.00  0.00    -0.488 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -3.766   1.068   0.712  0.00  0.00    +0.174 C 
ATOM     24  C   LIG    1       -3.641   2.229   1.695  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -4.921   3.027   1.492  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -5.351   2.761   0.049  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -4.345   1.765  -0.515  0.00  0.00    +0.044 C 
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 5