REMARK  Name = BDB065089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.318  -1.608  -1.041  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -2.216  -1.704   0.033  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1       -1.733  -1.585   1.340  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.384  -1.397   1.615  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1        0.523  -1.335   0.550  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        1.877  -1.166   0.906  0.00  0.00    +0.131 A 
ATOM      7  N   LIG    1        2.264  -1.027   2.184  0.00  0.00    -0.203 NA
ATOM      8  C   LIG    1        1.301  -1.088   3.115  0.00  0.00    +0.234 A 
ATOM      9  N   LIG    1       -0.007  -1.282   2.890  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1        0.042  -1.431  -0.779  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -1.040  -1.334  -3.395  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -1.855  -1.720  -2.298  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   8  13
ATOM     13  C   LIG    1        1.717  -0.952   4.487  0.00  0.00    +0.140 C 
ATOM     14  N   LIG    1        2.058  -0.845   5.595  0.00  0.00    -0.188 NA
ENDBRANCH   8  13
BRANCH   6  15
ATOM     15  N   LIG    1        2.856  -1.122  -0.111  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        2.763  -1.971  -0.665  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        4.252  -0.908   0.311  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1        4.509   0.570   0.654  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        5.164   1.313  -0.506  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1        6.454   0.737  -0.913  0.00  0.00    -0.299 NA
ATOM     21  C   LIG    1        6.543  -0.715  -0.714  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1        5.181  -1.392  -0.817  0.00  0.00    +0.037 C 
BRANCH  20  23
ATOM     23  C   LIG    1        7.606   1.446  -0.333  0.00  0.00    +0.057 C 
ATOM     24  C   LIG    1        8.928   1.422  -1.052  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1        8.119   2.684  -1.018  0.00  0.00    +0.020 C 
ENDBRANCH  20  23
ENDBRANCH  15  17
ENDBRANCH   6  15
BRANCH   2  26
ATOM     26  O   LIG    1       -3.531  -1.890  -0.304  0.00  0.00    -0.488 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.505  -2.093   0.717  0.00  0.00    +0.230 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.079  -0.774   1.237  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.696   0.061   0.106  0.00  0.00    +0.087 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -6.279   1.313   0.624  0.00  0.00    -0.302 NA
ATOM     31  C   LIG    1       -7.596   1.109   1.248  0.00  0.00    +0.084 C 
ATOM     32  C   LIG    1       -8.620   1.162   0.122  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -7.910   1.854  -1.032  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -6.560   2.262  -0.466  0.00  0.00    +0.084 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 10