REMARK  Name = BDB061306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.760  -3.177  -1.886  0.00  0.00    +0.183 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1       -2.030  -1.443  -0.293  0.00  0.00    -0.254 N 
ATOM      3  C   LIG    1       -1.107  -1.600  -1.354  0.00  0.00    +0.310 C 
ATOM      4  O   LIG    1       -0.909  -0.869  -2.312  0.00  0.00    -0.252 OA
ATOM      5  N   LIG    1       -0.422  -2.805  -1.134  0.00  0.00    -0.276 N 
ATOM      6  C   LIG    1       -0.714  -3.329   0.174  0.00  0.00    +0.129 C 
ATOM      7  C   LIG    1       -1.989  -2.604   0.571  0.00  0.00    +0.134 C 
BRANCH   2  13
ATOM      8  C   LIG    1       -5.828   2.828   0.502  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -4.826   1.731   0.271  0.00  0.00    -0.047 A 
ATOM     10  C   LIG    1       -3.868   1.812  -0.754  0.00  0.00    -0.046 A 
ATOM     11  C   LIG    1       -3.797   3.005  -1.668  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -2.950   0.757  -0.931  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -2.959  -0.382  -0.116  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -3.923  -0.441   0.899  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -4.842   0.597   1.090  0.00  0.00    +0.005 A 
ENDBRANCH   2  13
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1        1.996  -2.730  -1.189  0.00  0.00    +0.123 A 
ATOM     17  O   LIG    1        2.103  -1.398  -0.922  0.00  0.00    -0.458 OA
ATOM     18  C   LIG    1        3.293  -1.188  -0.289  0.00  0.00    +0.135 A 
ATOM     19  C   LIG    1        3.952  -2.395  -0.151  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        3.118  -3.386  -0.730  0.00  0.00    +0.047 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.583   0.195   0.084  0.00  0.00    +0.018 A 
ATOM     22  C   LIG    1        4.720   0.508   0.841  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        4.989   1.839   1.197  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        4.150   2.872   0.777  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        3.017   2.571   0.027  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        2.734   1.244  -0.310  0.00  0.00    +0.011 A 
BRANCH  23  27
ATOM     27  C   LIG    1        6.181   2.180   2.003  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        6.917   3.115   1.750  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        6.333   1.366   3.070  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        5.569   0.784   3.245  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  18  21
ENDBRANCH   1  16
TORSDOF 6