REMARK  Name = BDB051465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.318  -0.625   0.040  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1       -2.004  -1.817   0.097  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1       -1.587  -2.733   0.107  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.351  -1.558   0.126  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -3.439  -0.170   0.052  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -4.715   0.422   0.056  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -5.853  -0.404   0.136  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -5.722  -1.793   0.208  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -4.463  -2.401   0.202  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -2.177   0.378   0.018  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        2.964  -0.168  -0.110  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        2.398  -1.417   0.178  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        1.005  -1.582   0.231  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        0.143  -0.502  -0.005  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        0.714   0.746  -0.287  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.103   0.911  -0.341  0.00  0.00    +0.011 A 
BRANCH  11  21
ATOM     17  C   LIG    1        7.410   1.928  -0.631  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1        6.279   1.006  -0.412  0.00  0.00    +0.193 A 
ATOM     19  O   LIG    1        6.598  -0.292  -0.127  0.00  0.00    -0.448 OA
ATOM     20  C   LIG    1        5.388  -0.902   0.024  0.00  0.00    +0.225 A 
ATOM     21  C   LIG    1        4.402   0.038  -0.173  0.00  0.00    +0.109 A 
ATOM     22  N   LIG    1        4.987   1.255  -0.451  0.00  0.00    -0.214 NA
ENDBRANCH  11  21
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  C   LIG    1       -4.865   1.886  -0.043  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -4.250   2.568  -0.848  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1       -5.763   2.453   0.824  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -5.750   3.465   0.854  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -6.060   1.965   1.657  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
TORSDOF 3