REMARK  Name = BDB014653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.038  -3.338   0.826  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        2.468  -2.619   1.645  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1        1.271  -3.027   2.153  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1        0.947  -3.897   1.742  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.349  -2.281   2.993  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -0.496  -1.244   2.224  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -1.146  -0.411   3.194  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -1.968  -0.853   3.471  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -1.525  -1.935   1.288  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.222  -1.113   0.285  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -1.317  -0.682  -0.799  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -2.001   0.174  -1.845  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -3.198   0.852  -1.554  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -3.792   1.664  -2.529  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -3.188   1.824  -3.776  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -1.991   1.171  -4.059  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.867   0.652  -0.217  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -1.398   0.352  -3.098  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -2.921   0.053   0.835  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        3.085  -1.334   2.153  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.983  -0.701   1.095  0.00  0.00    +0.132 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.218  -0.092   0.022  0.00  0.00    -0.330 N 
ATOM     23  C   LIG    1        2.635   1.152   0.038  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        2.016   1.249  -1.206  0.00  0.00    +0.089 A 
ATOM     25  C   LIG    1        1.305   2.414  -1.532  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        1.232   3.447  -0.591  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        1.860   3.326   0.650  0.00  0.00    +0.002 A 
ATOM     28  N   LIG    1        2.206   0.105  -1.943  0.00  0.00    -0.236 NA
ATOM     29  C   LIG    1        2.579   2.175   0.993  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1        2.939  -0.676  -1.183  0.00  0.00    +0.200 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8