REMARK  Name = BDB014568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.274  -2.541   0.785  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.154  -1.444  -0.039  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.009  -1.039  -0.409  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.656  -3.295   1.056  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.676  -2.735   1.367  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.736  -2.267   0.538  0.00  0.00    -0.479 OA
BRANCH   6   8
ATOM      7  C   LIG    1        4.136  -2.526  -1.340  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1        3.086  -3.028  -0.550  0.00  0.00    +0.160 A 
ATOM      9  C   LIG    1        2.497  -4.222  -0.949  0.00  0.00    +0.158 A 
ATOM     10  N   LIG    1        2.870  -4.922  -2.045  0.00  0.00    -0.260 NA
ATOM     11  C   LIG    1        3.882  -4.412  -2.777  0.00  0.00    +0.113 A 
ATOM     12  C   LIG    1        4.538  -3.233  -2.470  0.00  0.00    +0.046 A 
BRANCH   7  15
ATOM     13  C   LIG    1        6.112   0.652  -0.806  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        5.745  -0.609  -1.548  0.00  0.00    +0.214 C 
ATOM     15  N   LIG    1        4.730  -1.309  -0.929  0.00  0.00    -0.283 N 
ATOM     16  H   LIG    1        4.338  -0.925  -0.075  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.307  -0.907  -2.596  0.00  0.00    -0.276 OA
ENDBRANCH   7  15
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1       -1.066  -1.191  -0.785  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.990   0.121  -1.581  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        0.234   0.139  -2.340  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        0.199  -0.616  -2.956  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -1.025   1.382  -0.688  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.241   1.531   0.130  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -2.014   2.551   1.176  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -3.250   2.893   1.980  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -4.535   2.618   1.482  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -5.665   2.971   2.231  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.522   3.620   3.457  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.251   3.914   3.945  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.690   1.883   0.175  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -3.121   3.555   3.210  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.412   1.915  -0.675  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 9