REMARK  Name = BDB054314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.744  -0.689  -1.242  0.00  0.00    -0.287 N 
ATOM      2  C   LIG    1       -0.895   0.072  -2.031  0.00  0.00    +0.266 C 
ATOM      3  O   LIG    1       -1.171   0.651  -3.067  0.00  0.00    -0.268 OA
ATOM      4  C   LIG    1        0.436   0.050  -1.364  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        1.594   0.640  -1.811  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        2.590   0.467  -1.010  0.00  0.00    +0.159 A 
ATOM      7  N   LIG    1        2.517  -0.250   0.174  0.00  0.00    -0.200 N 
ATOM      8  C   LIG    1        1.389  -0.876   0.657  0.00  0.00    +0.278 A 
ATOM      9  O   LIG    1        1.295  -1.547   1.676  0.00  0.00    -0.265 OA
ATOM     10  N   LIG    1        3.740  -0.201   0.819  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1        4.097  -1.091   1.167  0.00  0.00    +0.188 HD
ATOM     12  C   LIG    1        4.610   0.442  -0.058  0.00  0.00    +0.101 A 
ATOM     13  C   LIG    1        3.986   0.925  -1.148  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1        0.256  -0.662  -0.246  0.00  0.00    +0.066 A 
ATOM     15  C   LIG    1       -1.112  -1.162  -0.035  0.00  0.00    +0.151 C 
ENDROOT
BRANCH  12  16
ATOM     16  C   LIG    1        6.017   0.537   0.132  0.00  0.00    +0.152 A 
ATOM     17  O   LIG    1        6.660  -0.130   1.156  0.00  0.00    -0.461 OA
ATOM     18  C   LIG    1        7.984   0.145   1.088  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1        8.245   0.981   0.034  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        6.993   1.232  -0.578  0.00  0.00    +0.051 A 
ENDBRANCH  12  16
BRANCH   1  21
ATOM     21  C   LIG    1       -3.164  -0.842  -1.484  0.00  0.00    +0.147 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.599  -0.304   0.555  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -3.990   0.105  -0.646  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.123   1.441  -1.066  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -4.862   2.353  -0.317  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.473   1.941   0.863  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.341   0.620   1.300  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -5.015  -2.063   2.114  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -4.398  -1.612   0.914  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 4