REMARK  Name = BDB063833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.488  -1.854   0.486  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        1.194  -1.793   0.823  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        0.429  -3.003   1.229  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1        0.814  -4.149   1.340  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -0.812  -2.502   1.447  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -1.582  -3.056   1.772  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -0.794  -1.170   1.216  0.00  0.00    +0.188 C 
ATOM      8  N   LIG    1        0.358  -0.697   0.847  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  16
ATOM      9  C   LIG    1        7.851   2.421  -2.859  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        6.762   1.712  -2.134  0.00  0.00    +0.076 A 
ATOM     11  S   LIG    1        6.480   0.046  -2.429  0.00  0.00    -0.072 S 
ATOM     12  C   LIG    1        5.188   0.063  -1.290  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        5.066   1.349  -0.764  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1        4.068   1.591   0.198  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        3.221   0.550   0.601  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        3.339  -0.732   0.057  0.00  0.00    -0.022 A 
ATOM     17  C   LIG    1        4.343  -0.989  -0.891  0.00  0.00    +0.025 A 
ATOM     18  N   LIG    1        5.969   2.279  -1.252  0.00  0.00    -0.244 NA
ENDBRANCH   1  16
BRANCH   7  19
ATOM     19  N   LIG    1       -1.896  -0.392   1.365  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -1.723   0.553   1.032  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.275  -0.836   1.225  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -4.210   0.175   1.906  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -4.315   1.557   1.264  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -4.501   1.596  -0.249  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.456   0.548  -0.814  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -5.032  -0.920  -0.665  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -3.580  -1.144  -0.253  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 3