REMARK  Name = BDB044305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.462   1.167   0.751  0.00  0.00    -0.261 N 
ATOM      2  N   LIG    1       -2.403   1.527   2.053  0.00  0.00    -0.177 NA
ATOM      3  C   LIG    1       -1.322   0.886   2.512  0.00  0.00    +0.157 A 
ATOM      4  C   LIG    1       -0.672   0.139   1.507  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.426   0.350   0.377  0.00  0.00    +0.132 A 
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1        0.461  -0.647   1.536  0.00  0.00    -0.278 N 
ATOM      7  H   LIG    1        0.716  -1.124   0.683  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        1.208  -0.900   2.675  0.00  0.00    +0.269 C 
ATOM      9  O   LIG    1        0.936  -0.489   3.800  0.00  0.00    -0.268 OA
BRANCH   8  10
ATOM     10  C   LIG    1        2.388  -1.743   2.403  0.00  0.00    +0.151 A 
ATOM     11  C   LIG    1        3.372  -1.582   1.384  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        3.581  -0.536   0.348  0.00  0.00    +0.040 C 
ATOM     13  C   LIG    1        4.649  -0.980  -0.676  0.00  0.00    +0.011 C 
ATOM     14  C   LIG    1        5.904  -1.663  -0.043  0.00  0.00    -0.029 C 
ATOM     15  C   LIG    1        5.488  -2.910   0.799  0.00  0.00    +0.061 C 
ATOM     16  C   LIG    1        6.845  -2.119  -1.173  0.00  0.00    +0.011 C 
ATOM     17  C   LIG    1        6.671  -0.657   0.841  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1        4.258  -2.617   1.579  0.00  0.00    +0.040 A 
ATOM     19  N   LIG    1        3.800  -3.325   2.644  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1        4.203  -4.149   3.080  0.00  0.00    +0.189 HD
ATOM     21  N   LIG    1        2.663  -2.828   3.155  0.00  0.00    -0.169 NA
ENDBRANCH   8  10
ENDBRANCH   4   6
BRANCH   1  22
ATOM     22  C   LIG    1       -3.543   1.704  -0.097  0.00  0.00    +0.151 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.365   0.551  -0.666  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -5.440   0.048   0.089  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -6.211  -1.017  -0.379  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.917  -1.603  -1.607  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.848  -1.129  -2.363  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.074  -0.064  -1.895  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
BRANCH  22  29
ATOM     29  C   LIG    1       -2.959   2.747  -1.097  0.00  0.00    +0.115 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -4.858   3.182  -2.608  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1       -3.846   3.751  -1.727  0.00  0.00    -0.306 NA
ATOM     32  C   LIG    1       -4.455   4.650  -0.748  0.00  0.00    +0.104 C 
ENDBRANCH  29  31
ENDBRANCH  22  29
ENDBRANCH   1  22
TORSDOF 6