REMARK  Name = BDB029617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.874   0.092  -1.022  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.317  -0.412   0.257  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -0.869   0.394   0.841  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -1.915   0.695  -0.155  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -1.411   1.154  -1.467  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.246   0.272  -1.975  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.078  -0.089  -0.214  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -4.338   0.490  -0.547  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -5.475  -0.256  -0.641  0.00  0.00    -0.245 NA
ATOM     10  C   LIG    1       -5.388  -1.588  -0.390  0.00  0.00    +0.126 A 
ATOM     11  C   LIG    1       -4.216  -2.229  -0.040  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -3.057  -1.466   0.050  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -6.662  -2.369  -0.511  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1       -7.758  -1.610  -0.859  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -7.598  -0.613  -0.982  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -9.068  -2.179  -1.011  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1       -6.698  -3.578  -0.313  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
BRANCH   8  18
ATOM     18  C   LIG    1       -4.477   1.995  -0.762  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1       -4.729   2.528  -2.155  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1       -5.808   2.621  -1.118  0.00  0.00    +0.010 C 
ENDBRANCH   8  18
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1        1.639   1.338  -0.856  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1        7.477  -0.208   1.598  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        7.173  -1.158   0.476  0.00  0.00    +0.252 A 
ATOM     24  O   LIG    1        7.957  -2.041   0.145  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1        5.974  -0.996  -0.170  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1        5.781  -1.647  -0.919  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        5.051   0.000   0.165  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        5.333   0.891   1.198  0.00  0.00    +0.088 A 
ATOM     29  N   LIG    1        4.501   1.881   1.583  0.00  0.00    -0.253 NA
ATOM     30  C   LIG    1        3.335   1.982   0.903  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1        2.953   1.136  -0.139  0.00  0.00    -0.013 A 
ATOM     32  C   LIG    1        3.849   0.127  -0.517  0.00  0.00    +0.034 A 
ATOM     33  C   LIG    1        6.597   0.760   1.914  0.00  0.00    +0.038 A 
BRANCH  22  35
ATOM     34  C   LIG    1        8.784  -1.519   3.297  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1        8.797  -0.370   2.299  0.00  0.00    +0.037 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 6