REMARK  Name = BDB051626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.032  -0.593   0.838  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1        0.100  -0.969   0.105  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        1.241  -1.416   0.786  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1        1.260  -1.524   2.177  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.136  -1.145   2.906  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -1.003  -0.677   2.242  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.435  -1.819   0.021  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1        3.185  -0.831  -0.624  0.00  0.00    -0.296 N 
ATOM      9  C   LIG    1        4.404  -1.271  -1.302  0.00  0.00    +0.123 C 
ATOM     10  C   LIG    1        5.586  -1.425  -0.327  0.00  0.00    +0.100 C 
ATOM     11  N   LIG    1        6.313  -0.215   0.070  0.00  0.00    -0.314 NA
ATOM     12  H   LIG    1        7.146  -0.107  -0.508  0.00  0.00    +0.122 HD
ATOM     13  C   LIG    1        5.582   1.045   0.104  0.00  0.00    +0.082 C 
ATOM     14  C   LIG    1        4.180   1.016   0.717  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1        3.112   0.588  -0.288  0.00  0.00    +0.109 C 
ATOM     16  O   LIG    1        2.700  -3.018  -0.021  0.00  0.00    -0.270 OA
ENDBRANCH   3   7
BRANCH   1  21
ATOM     17  C   LIG    1       -5.526   1.184   0.229  0.00  0.00    +0.064 A 
ATOM     18  C   LIG    1       -4.221   0.675   0.051  0.00  0.00    +0.105 A 
ATOM     19  C   LIG    1       -3.701   0.502  -1.282  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1       -2.436  -0.000  -1.164  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -2.212  -0.126   0.190  0.00  0.00    -0.239 N 
ATOM     22  C   LIG    1       -4.338   0.779  -2.486  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -5.635   1.286  -2.275  0.00  0.00    +0.001 A 
ATOM     24  N   LIG    1       -3.290   0.256   0.923  0.00  0.00    -0.166 NA
ATOM     25  C   LIG    1       -6.208   1.482  -0.981  0.00  0.00    +0.015 A 
BRANCH  17  29
ATOM     26  N   LIG    1       -7.464   1.161   1.662  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1       -7.947   0.578   0.993  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -7.833   1.191   2.605  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1       -6.122   1.415   1.553  0.00  0.00    +0.244 C 
ATOM     30  O   LIG    1       -5.483   1.818   2.513  0.00  0.00    -0.270 OA
ENDBRANCH  17  29
ENDBRANCH   1  21
TORSDOF 3