REMARK  Name = BDB006107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.035  -1.291   1.356  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -1.484  -1.153   0.061  0.00  0.00    -0.325 N 
ATOM      3  H   LIG    1       -0.940  -1.596  -0.682  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -2.536  -0.371  -0.325  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1       -3.209   0.319   0.782  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -4.296   1.129   0.513  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -4.724   1.267  -0.886  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1       -3.986   0.569  -1.818  0.00  0.00    -0.241 N 
ATOM      9  H   LIG    1       -4.267   0.650  -2.791  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1       -5.681   1.969  -1.189  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -4.940   1.787   1.562  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -4.472   1.616   2.869  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -3.365   0.794   3.124  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -2.714   0.133   2.081  0.00  0.00    +0.077 A 
ATOM     15  N   LIG    1       -2.912  -0.240  -1.563  0.00  0.00    -0.153 NA
ATOM     16  N   LIG    1       -1.593  -0.684   2.370  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        0.184  -2.176   1.605  0.00  0.00    +0.178 C 
BRANCH  17  20
ATOM     18  O   LIG    1        0.910  -2.079  -1.077  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1        1.649  -1.535  -0.263  0.00  0.00    +0.244 C 
ATOM     20  N   LIG    1        1.368  -1.516   1.086  0.00  0.00    -0.304 N 
ATOM     21  H   LIG    1        1.808  -0.824   1.680  0.00  0.00    +0.149 HD
BRANCH  19  22
ATOM     22  C   LIG    1        2.859  -0.793  -0.711  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.957  -0.583   0.136  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        5.078   0.115  -0.327  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        5.102   0.596  -1.644  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        4.015   0.379  -2.500  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        2.898  -0.320  -2.031  0.00  0.00    +0.015 A 
BRANCH  25  28
ATOM     28  N   LIG    1        6.280   1.327  -2.131  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        6.267   1.725  -3.304  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        7.215   1.504  -1.337  0.00  0.00    -0.126 OA
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 4