REMARK  Name = BDB045662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.881  -1.267  -0.076  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.355  -1.084  -1.363  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.017  -0.713  -1.546  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        0.827  -0.518  -0.444  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        0.297  -0.698   0.841  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.038  -1.072   1.024  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.232  -0.126  -0.591  0.00  0.00    +0.139 A 
ATOM      8  N   LIG    1        2.967  -0.286  -1.743  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1        2.632  -0.699  -2.600  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        4.241   0.177  -1.530  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        4.237   0.610  -0.209  0.00  0.00    +0.102 A 
ATOM     12  C   LIG    1        5.418   1.153   0.335  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1        6.558   1.233  -0.486  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        6.526   0.786  -1.810  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        5.361   0.245  -2.362  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1        2.989   0.407   0.353  0.00  0.00    -0.227 NA
BRANCH  12  17
ATOM     17  C   LIG    1        5.494   1.639   1.733  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1        6.529   2.104   2.195  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1        4.363   1.551   2.492  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        3.502   1.167   2.109  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        4.386   1.876   3.447  0.00  0.00    +0.145 HD
ENDBRANCH  12  17
ENDBRANCH   4   7
BRANCH   1  23
ATOM     22  C   LIG    1       -4.309  -0.679   0.346  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -3.292  -1.639   0.112  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -3.636  -3.003   0.053  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -4.955  -3.419   0.221  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.949  -2.475   0.450  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.629  -1.116   0.511  0.00  0.00    +0.024 A 
BRANCH  22  30
ATOM     28  C   LIG    1       -3.998   3.079   0.616  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -4.769   1.783   0.618  0.00  0.00    +0.214 C 
ATOM     30  N   LIG    1       -3.949   0.692   0.400  0.00  0.00    -0.285 N 
ATOM     31  H   LIG    1       -2.964   0.891   0.272  0.00  0.00    +0.155 HD
ATOM     32  O   LIG    1       -5.978   1.774   0.817  0.00  0.00    -0.276 OA
ENDBRANCH  22  30
ENDBRANCH   1  23
TORSDOF 4