REMARK  Name = BDB028188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.176   0.258  -0.817  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.273  -0.089  -0.004  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.542  -0.313  -0.557  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.725  -0.174  -1.929  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.065  -0.379  -2.501  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.062  -0.688  -1.610  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.995  -0.829  -1.986  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.916  -0.849  -0.267  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.268  -0.274  -3.706  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.651   0.166  -2.756  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.732  -0.688   0.249  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.387   0.377  -2.201  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        3.667   1.006   0.829  0.00  0.00    +0.041 A 
ATOM     14  N   LIG    1        3.112   1.925   0.006  0.00  0.00    -0.259 NA
ATOM     15  C   LIG    1        1.883   1.651  -0.495  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1        1.153   0.491  -0.232  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        1.761  -0.438   0.619  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        3.025  -0.184   1.153  0.00  0.00    +0.024 A 
BRANCH  13  20
ATOM     19  C   LIG    1        6.129   0.731   0.473  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1        5.041   1.308   1.365  0.00  0.00    +0.052 C 
ENDBRANCH  13  20
ENDBRANCH   1  16
BRANCH  11  21
ATOM     21  C   LIG    1       -3.596  -0.897   1.755  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.545   0.406   2.420  0.00  0.00    -0.325 NA
ATOM     23  H   LIG    1       -4.404   0.913   2.194  0.00  0.00    +0.119 HD
ATOM     24  H   LIG    1       -3.575   0.263   3.429  0.00  0.00    +0.119 HD
ENDBRANCH  21  22
ENDBRANCH  11  21
TORSDOF 4