REMARK  Name = BDB051631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.309   0.372   1.548  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1        1.811   0.736   2.806  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.498   0.405   3.162  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -0.331  -0.286   2.268  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.172  -0.667   1.019  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.482  -0.335   0.660  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.332   0.671  -1.182  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1        5.367   0.759  -0.155  0.00  0.00    +0.105 A 
ATOM      9  C   LIG    1        5.707   1.403   1.089  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        4.603   1.351   1.891  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1        3.641   0.695   1.154  0.00  0.00    -0.239 N 
ATOM     12  C   LIG    1        6.920   1.981   1.443  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        7.863   1.873   0.402  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1        4.084   0.365  -0.086  0.00  0.00    -0.166 NA
ATOM     15  C   LIG    1        7.588   1.248  -0.854  0.00  0.00    +0.015 A 
BRANCH   7  19
ATOM     16  N   LIG    1        6.693   0.559  -3.566  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1        7.060   1.500  -3.553  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        6.403   0.184  -4.460  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1        6.070   0.015  -2.473  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        5.346  -0.962  -2.595  0.00  0.00    -0.270 OA
ENDBRANCH   7  19
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1       -1.720  -0.612   2.698  0.00  0.00    +0.244 C 
ATOM     22  N   LIG    1       -2.647  -0.786   1.689  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.413  -0.415   0.781  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1       -1.994  -0.679   3.890  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -4.058  -0.932   2.005  0.00  0.00    +0.120 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.886  -1.573   0.872  0.00  0.00    +0.103 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -5.396  -0.641  -0.154  0.00  0.00    -0.301 NA
ATOM     28  C   LIG    1       -6.409  -1.281  -1.013  0.00  0.00    +0.084 C 
ATOM     29  C   LIG    1       -5.891  -1.662  -2.397  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -5.380  -0.439  -3.157  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -4.846   0.641  -2.218  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1       -4.336   0.037  -0.910  0.00  0.00    +0.084 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   4  21
TORSDOF 6