REMARK  Name = BDB062211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.409  -0.988  -0.396  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -3.117  -0.687  -0.577  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1       -2.251  -1.470  -1.498  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1       -2.540  -2.421  -2.196  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -1.058  -0.840  -1.375  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -0.244  -1.063  -1.920  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -1.188   0.201  -0.516  0.00  0.00    +0.192 C 
ATOM      8  N   LIG    1       -2.385   0.341  -0.021  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -7.667   0.441   0.856  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1       -7.270   0.978   2.088  0.00  0.00    +0.158 A 
ATOM     11  C   LIG    1       -5.948   0.887   2.518  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -5.002   0.255   1.710  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -5.365  -0.278   0.468  0.00  0.00    -0.019 A 
ATOM     14  C   LIG    1       -6.707  -0.191   0.057  0.00  0.00    +0.057 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -9.419   0.073  -0.721  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -8.992   0.581   0.534  0.00  0.00    -0.491 OA
ENDBRANCH   9  16
BRANCH  10  17
ATOM     17  O   LIG    1       -8.200   1.598   2.879  0.00  0.00    -0.503 OA
ATOM     18  H   LIG    1       -7.766   1.919   3.684  0.00  0.00    +0.292 HD
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   7  19
ATOM     19  N   LIG    1       -0.164   1.052  -0.241  0.00  0.00    -0.287 N 
ATOM     20  H   LIG    1       -0.439   1.850   0.321  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.216   0.792  -0.202  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        1.764  -0.487  -0.131  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        3.155  -0.680  -0.141  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        4.059   0.389  -0.230  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        3.490   1.668  -0.304  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        2.102   1.868  -0.293  0.00  0.00    +0.025 A 
BRANCH  24  27
ATOM     27  N   LIG    1        5.432   0.192  -0.242  0.00  0.00    -0.330 N 
ATOM     28  C   LIG    1        6.005  -1.098  -0.640  0.00  0.00    +0.105 C 
ATOM     29  C   LIG    1        7.396  -0.905  -1.238  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1        8.356  -0.227  -0.264  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1        7.640   0.689   0.725  0.00  0.00    +0.019 C 
ATOM     32  C   LIG    1        6.350   1.268   0.148  0.00  0.00    +0.105 C 
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 6