REMARK  Name = BDB054463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.783   0.185   0.333  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.502  -0.066   0.001  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1        0.385   0.570   0.786  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        0.091   1.411   1.840  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        1.341   1.819   2.336  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1        2.362   1.286   1.657  0.00  0.00    -0.177 NA
ATOM      7  C   LIG    1       -1.250   1.615   2.108  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        1.756   0.523   0.713  0.00  0.00    -0.243 N 
ATOM      9  N   LIG    1       -2.176   0.994   1.341  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.540  -0.246  -0.252  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        3.363   0.647  -1.191  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1        4.699   1.107  -0.605  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1        5.551  -0.042  -0.025  0.00  0.00    -0.035 C 
ATOM     14  C   LIG    1        6.084  -0.945  -1.154  0.00  0.00    +0.011 C 
ATOM     15  C   LIG    1        6.763   0.559   0.712  0.00  0.00    +0.011 C 
ATOM     16  C   LIG    1        4.714  -0.864   0.978  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1        3.378  -1.349   0.412  0.00  0.00    +0.027 C 
ENDBRANCH   8  10
BRANCH   1  18
ATOM     18  N   LIG    1       -2.724  -0.468  -0.470  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1       -2.209  -1.006  -1.155  0.00  0.00    +0.155 HD
BRANCH  18  24
ATOM     20  C   LIG    1       -7.237  -1.718  -1.674  0.00  0.00    +0.149 C 
ATOM     21  N   LIG    1       -6.151  -1.011  -1.030  0.00  0.00    -0.344 N 
ATOM     22  C   LIG    1       -6.262  -0.134   0.032  0.00  0.00    +0.106 A 
ATOM     23  C   LIG    1       -4.963   0.160   0.428  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1       -4.069  -0.486  -0.451  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1       -4.828  -1.198  -1.348  0.00  0.00    +0.109 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -7.473   0.351   0.651  0.00  0.00    +0.258 C 
ATOM     27  O   LIG    1       -7.612   0.561   1.851  0.00  0.00    -0.269 OA
ATOM     28  N   LIG    1       -8.490   0.655  -0.209  0.00  0.00    -0.324 N 
ATOM     29  H   LIG    1       -9.239   1.182   0.223  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -8.253   0.907  -1.157  0.00  0.00    +0.145 HD
ENDBRANCH  22  26
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 4