REMARK  Name = BDB054125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.766  -1.738  -0.921  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.856  -1.046  -1.702  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.200  -0.594  -2.539  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.417  -2.551  -0.070  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.572  -1.332  -1.616  0.00  0.00    +0.088 C 
ATOM      6  C   LIG    1        1.170  -1.023  -0.228  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1        2.433  -0.323  -0.512  0.00  0.00    -0.301 NA
ATOM      8  C   LIG    1        2.143   0.504  -1.682  0.00  0.00    +0.086 C 
ATOM      9  C   LIG    1        1.383  -0.460  -2.579  0.00  0.00    +0.039 C 
BRANCH   7  10
ATOM     10  C   LIG    1        2.905   0.437   0.647  0.00  0.00    +0.085 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.290   1.066   0.447  0.00  0.00    +0.020 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.377   0.025   0.164  0.00  0.00    +0.036 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.737   0.669   0.042  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1        7.567   0.798   1.164  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        8.816   1.411   1.052  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        9.246   1.902  -0.179  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        8.427   1.783  -1.300  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        7.176   1.172  -1.190  0.00  0.00    +0.003 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   2   5
BRANCH   1  19
ATOM     19  C   LIG    1       -3.247  -1.376  -1.206  0.00  0.00    +0.162 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.718   0.052  -0.815  0.00  0.00    +0.018 C 
ATOM     21  C   LIG    1       -2.739   0.860   0.058  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -3.321   2.223   0.434  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -3.690   3.029  -0.807  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -4.628   2.250  -1.723  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.068   0.872  -2.076  0.00  0.00    +0.006 C 
ENDBRANCH  19  20
BRANCH  19  27
ATOM     26  C   LIG    1       -4.566  -2.858   0.448  0.00  0.00    +0.230 C 
ATOM     27  N   LIG    1       -4.170  -2.436  -0.786  0.00  0.00    -0.302 N 
ATOM     28  H   LIG    1       -4.620  -2.973  -1.516  0.00  0.00    +0.150 HD
ATOM     29  O   LIG    1       -5.416  -3.755   0.488  0.00  0.00    -0.274 OA
BRANCH  26  30
ATOM     30  C   LIG    1       -4.024  -2.203   1.736  0.00  0.00    +0.137 C 
ATOM     31  C   LIG    1       -3.797  -3.299   2.782  0.00  0.00    +0.034 C 
BRANCH  30  33
ATOM     32  C   LIG    1       -4.607  -0.460   3.356  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1       -5.016  -1.193   2.169  0.00  0.00    -0.309 NA
ATOM     34  H   LIG    1       -5.900  -1.674   2.348  0.00  0.00    +0.122 HD
ENDBRANCH  30  33
ENDBRANCH  26  30
ENDBRANCH  19  27
ENDBRANCH   1  19
TORSDOF 10