REMARK  Name = BDB065255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.030   1.048   1.429  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -2.704  -0.162   1.199  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1       -1.985  -1.265   0.730  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.623  -1.199   0.464  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1        0.054   0.010   0.663  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        1.431   0.006   0.353  0.00  0.00    +0.131 A 
ATOM      7  N   LIG    1        2.053  -1.103  -0.059  0.00  0.00    -0.203 NA
ATOM      8  C   LIG    1        1.304  -2.206  -0.202  0.00  0.00    +0.234 A 
ATOM      9  N   LIG    1       -0.014  -2.302   0.029  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1       -0.662   1.127   1.161  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.142   3.319   2.176  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -2.790   2.083   1.912  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   8  13
ATOM     13  C   LIG    1        1.972  -3.397  -0.658  0.00  0.00    +0.140 C 
ATOM     14  N   LIG    1        2.501  -4.365  -1.029  0.00  0.00    -0.188 NA
ENDBRANCH   8  13
BRANCH   6  15
ATOM     15  N   LIG    1        2.171   1.182   0.511  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        1.699   1.940   0.023  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.628   1.248   0.286  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1        4.030   1.177  -1.190  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        4.700  -0.126  -1.603  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1        5.716  -0.597  -0.671  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1        5.175  -0.794   0.668  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1        4.448   0.409   1.271  0.00  0.00    +0.037 C 
BRANCH  20  23
ATOM     23  C   LIG    1        7.051  -0.007  -0.817  0.00  0.00    +0.050 C 
ATOM     24  C   LIG    1        7.363   1.220   0.040  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        8.101  -1.095  -0.551  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  15  17
ENDBRANCH   6  15
BRANCH   2  26
ATOM     26  O   LIG    1       -4.046  -0.159   1.474  0.00  0.00    -0.487 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.840  -1.313   1.204  0.00  0.00    +0.244 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.251  -1.434  -0.280  0.00  0.00    +0.125 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.937  -0.261  -0.850  0.00  0.00    -0.295 NA
ATOM     30  C   LIG    1       -7.150   0.114  -0.096  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -8.127   0.931  -0.956  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1       -8.633   0.186  -2.073  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -7.707  -0.793  -2.562  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1       -6.238  -0.433  -2.286  0.00  0.00    +0.112 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 9