REMARK  Name = BDB034317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.187  -1.610  -1.302  0.00  0.00    -0.298 NA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.065  -2.152  -2.350  0.00  0.00    +0.084 C 
BRANCH   2   4
ATOM      3  C   LIG    1        1.145  -4.631  -1.648  0.00  0.00    +0.005 C 
ATOM      4  C   LIG    1        0.747  -3.613  -2.703  0.00  0.00    +0.012 C 
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1   5
ATOM      5  C   LIG    1        0.745  -1.698   0.060  0.00  0.00    +0.119 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.021  -0.933   0.359  0.00  0.00    -0.033 A 
ATOM      7  C   LIG    1        3.257  -1.595   0.358  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        4.436  -0.919   0.686  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        4.410   0.439   1.028  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1        3.176   1.104   1.021  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        1.996   0.427   0.697  0.00  0.00    +0.005 A 
BRANCH   9  12
ATOM     12  C   LIG    1        5.640   1.140   1.403  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        6.202   0.962   2.678  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        7.372   1.630   3.042  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.998   2.484   2.134  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.454   2.668   0.863  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.281   2.001   0.501  0.00  0.00    +0.008 A 
ENDBRANCH   9  12
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  C   LIG    1       -0.339  -0.287  -1.668  0.00  0.00    +0.086 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.511   0.206  -0.809  0.00  0.00    +0.034 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.713  -0.737  -0.876  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.811  -0.265  -0.036  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1       -3.554  -0.218   0.946  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.690   0.764  -0.405  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -5.720   1.177   0.493  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1       -6.596   2.209   0.073  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -7.597   2.646   0.929  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -7.773   2.079   2.187  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1       -6.945   1.052   2.615  0.00  0.00    +0.021 A 
ATOM     29 CL   LIG    1       -9.030   2.645   3.215  0.00  0.00    -0.083 Cl
ATOM     30  N   LIG    1       -6.514   2.790  -1.134  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1       -5.574   2.339  -1.982  0.00  0.00    +0.113 A 
ATOM     32  C   LIG    1       -5.927   0.603   1.774  0.00  0.00    +0.013 A 
ATOM     33  C   LIG    1       -4.671   1.337  -1.677  0.00  0.00    +0.043 A 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10