REMARK  Name = BDB012841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.008  -0.181  -2.275  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.146  -1.259  -1.613  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.944  -0.545  -0.967  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        1.899  -1.240  -0.246  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        1.883  -2.470  -0.206  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.019   0.831  -1.444  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.035   0.894  -2.609  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -2.648   3.014   1.062  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -2.903   1.789   0.235  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -1.915   1.387  -0.597  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -2.124   0.289  -1.360  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.316  -0.432  -1.305  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -4.342  -0.021  -0.445  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -4.115   1.117   0.338  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.607  -0.757  -0.365  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1       -6.354  -1.106  -1.480  0.00  0.00    +0.122 A 
ATOM     17  N   LIG    1       -7.521  -1.785  -1.442  0.00  0.00    -0.243 NA
ATOM     18  C   LIG    1       -7.956  -2.122  -0.219  0.00  0.00    +0.221 A 
ATOM     19  N   LIG    1       -7.337  -1.846   0.937  0.00  0.00    -0.243 NA
ATOM     20  C   LIG    1       -6.173  -1.170   0.831  0.00  0.00    +0.122 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        2.907  -0.478   0.446  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1        2.707   0.698   1.111  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1        1.834   1.200   1.229  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        3.814   1.208   1.675  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        4.754   0.286   1.434  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        4.230  -0.795   0.685  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1        6.152   0.477   1.949  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1        6.542  -0.621   2.941  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1        7.167   0.553   0.807  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4