REMARK  Name = BDB018908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.538   3.176   1.341  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.408   1.743   1.238  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -5.243   1.210   1.417  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -3.548   1.202   0.314  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.534  -0.185   0.275  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.628  -0.829  -0.664  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -1.395  -1.383   0.002  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.417  -2.281   1.077  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -0.209  -2.734   1.624  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.021  -2.310   1.119  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        1.072  -1.410   0.052  0.00  0.00    -0.017 A 
ATOM     12  O   LIG    1       -2.509  -2.784   1.728  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1       -3.811  -2.514   1.223  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1       -0.141  -0.964  -0.497  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -4.178  -1.031   1.284  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1       -2.852   1.906  -0.413  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.357  -0.949  -0.495  0.00  0.00    -0.008 A 
ATOM     18  C   LIG    1        2.877   0.352  -0.282  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        4.056   0.808  -0.933  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1        4.745  -0.125  -1.725  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        4.265  -1.421  -1.924  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.078  -1.825  -1.323  0.00  0.00    +0.009 A 
BRANCH  18  23
ATOM     23  C   LIG    1        2.162   1.280   0.620  0.00  0.00    +0.111 C 
ATOM     24  N   LIG    1        1.801   0.960   1.819  0.00  0.00    -0.307 NA
ATOM     25  H   LIG    1        1.311   1.746   2.258  0.00  0.00    +0.186 HD
ENDBRANCH  18  23
BRANCH  19  26
ATOM     26  N   LIG    1        4.596   2.080  -0.677  0.00  0.00    -0.346 N 
ATOM     27  H   LIG    1        3.911   2.768  -0.382  0.00  0.00    +0.146 HD
ATOM     28  C   LIG    1        5.610   2.645  -1.550  0.00  0.00    +0.125 C 
ENDBRANCH  19  26
ENDBRANCH  11  17
TORSDOF 3