REMARK  Name = BDB051621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.680  -0.419   0.076  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.248   0.652   0.858  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        1.116   0.961   0.964  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        2.069   0.195   0.284  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        1.638  -0.883  -0.501  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        0.275  -1.185  -0.601  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.461   0.488   0.375  0.00  0.00    -0.239 N 
ATOM      8  N   LIG    1        4.371  -0.276  -0.298  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        5.581   0.247  -0.013  0.00  0.00    +0.105 A 
ATOM     10  C   LIG    1        5.401   1.372   0.866  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        6.383   2.196   1.403  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        7.668   1.804   0.979  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        7.911   0.697   0.108  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        6.881  -0.123  -0.422  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        4.061   1.500   1.093  0.00  0.00    +0.123 A 
BRANCH  14  16
ATOM     16  C   LIG    1        7.187  -1.252  -1.317  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        8.340  -1.519  -1.632  0.00  0.00    -0.270 OA
ATOM     18  N   LIG    1        6.136  -1.987  -1.779  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        6.316  -2.767  -2.394  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        5.180  -1.761  -1.514  0.00  0.00    +0.145 HD
ENDBRANCH  14  16
ENDBRANCH   4   7
BRANCH   1  22
ATOM     21  C   LIG    1       -3.152  -0.170   0.458  0.00  0.00    +0.234 C 
ATOM     22  N   LIG    1       -2.031  -0.791  -0.080  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1       -2.203  -1.587  -0.681  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1       -3.144   0.845   1.151  0.00  0.00    -0.274 OA
BRANCH  21  27
ATOM     25  C   LIG    1       -4.268   0.290  -2.133  0.00  0.00    +0.105 C 
ATOM     26  N   LIG    1       -5.158  -0.204  -1.089  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -4.473  -0.880   0.049  0.00  0.00    +0.143 C 
ATOM     28  C   LIG    1       -5.379  -1.011   1.295  0.00  0.00    +0.028 C 
ATOM     29  C   LIG    1       -6.852  -1.058   0.916  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -7.252   0.192   0.131  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -6.082   0.832  -0.626  0.00  0.00    +0.085 C 
ENDBRANCH  21  27
ENDBRANCH   1  22
TORSDOF 4