REMARK  Name = BDB051463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.249   0.632   0.400  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        2.975   0.043   0.300  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        2.888  -1.347   0.283  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        1.544  -1.603   0.180  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        1.127  -2.519   0.129  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        0.862  -0.410   0.120  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1        3.997  -2.194   0.356  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        5.253  -1.588   0.452  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        1.720   0.593   0.173  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        5.384  -0.198   0.474  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.595  -0.286  -0.010  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -1.469  -1.362   0.198  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -2.856  -1.199   0.060  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.404   0.043  -0.287  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -2.529   1.116  -0.496  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -1.146   0.955  -0.353  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -4.847   0.254  -0.442  0.00  0.00    +0.138 A 
ATOM     18  N   LIG    1       -5.816  -0.565   0.095  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -5.645  -1.381   0.662  0.00  0.00    +0.167 HD
ATOM     20  C   LIG    1       -7.043  -0.062  -0.240  0.00  0.00    +0.104 A 
ATOM     21  C   LIG    1       -6.774   1.067  -0.971  0.00  0.00    +0.130 A 
ATOM     22  N   LIG    1       -5.422   1.256  -1.084  0.00  0.00    -0.236 NA
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  26
ATOM     23  N   LIG    1        5.370   2.624  -0.365  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        5.365   3.633  -0.443  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        5.735   2.097  -1.146  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1        4.396   2.098   0.444  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        3.717   2.817   1.162  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3