REMARK  Name = BDB056270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.251   0.938  -0.432  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.615  -0.078   0.461  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.755  -0.843   0.210  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1        2.540  -0.567  -0.915  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        2.179   0.448  -1.808  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        1.039   1.213  -1.557  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.734  -1.399  -1.168  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1        4.973  -0.788  -1.139  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1        5.273   0.570  -0.704  0.00  0.00    +0.113 C 
ATOM     10  C   LIG    1        6.788   0.723  -0.852  0.00  0.00    +0.026 C 
ATOM     11  C   LIG    1        7.308  -0.712  -0.793  0.00  0.00    +0.026 C 
ATOM     12  C   LIG    1        7.607  -0.899   0.685  0.00  0.00    +0.086 C 
ATOM     13  N   LIG    1        8.215   0.385   1.036  0.00  0.00    -0.315 NA
ATOM     14  H   LIG    1        8.198   0.537   2.043  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        7.455   1.422   0.329  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        6.181  -1.571  -1.331  0.00  0.00    +0.113 C 
ATOM     17  O   LIG    1        3.569  -2.599  -1.368  0.00  0.00    -0.270 OA
ENDBRANCH   4   7
BRANCH   1  19
ATOM     18  O   LIG    1       -0.774   3.003  -0.167  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1       -0.936   1.784  -0.175  0.00  0.00    +0.247 C 
ATOM     20  N   LIG    1       -2.167   1.175   0.052  0.00  0.00    -0.297 N 
ATOM     21  C   LIG    1       -3.285   2.025   0.445  0.00  0.00    +0.109 C 
ATOM     22  C   LIG    1       -4.401   1.212   1.087  0.00  0.00    +0.038 C 
ATOM     23  C   LIG    1       -4.991   0.174   0.104  0.00  0.00    +0.060 C 
ATOM     24  C   LIG    1       -3.885  -0.355  -0.845  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1       -2.482  -0.221  -0.264  0.00  0.00    +0.109 C 
BRANCH  23  26
ATOM     26  N   LIG    1       -5.676  -0.951   0.796  0.00  0.00    -0.299 NA
ATOM     27  C   LIG    1       -6.615  -0.545   1.858  0.00  0.00    +0.085 C 
ATOM     28  C   LIG    1       -7.898  -0.160   1.145  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -7.906  -1.022  -0.108  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -6.547  -1.714  -0.124  0.00  0.00    +0.085 C 
ENDBRANCH  23  26
ENDBRANCH   1  19
TORSDOF 3