REMARK  Name = BDB023597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.960   0.550   0.167  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.795  -0.236   0.128  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.462   0.315   0.414  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        1.698  -0.545   0.443  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1        2.967   0.262   0.130  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1        3.072   0.619  -1.360  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1        3.700  -0.572  -2.000  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1        4.348  -1.398  -0.951  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1        2.991   1.552   0.940  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1        1.800   2.216   1.068  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1        1.851   3.135   1.492  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        4.022   2.051   1.387  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.235  -0.578   0.327  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1        0.555   1.665   0.756  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -0.586   2.459   0.820  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -1.833   1.905   0.519  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1       -5.003  -1.711   0.259  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1       -3.750  -1.158   0.552  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -3.276  -0.030  -0.141  0.00  0.00    -0.017 A 
ATOM     20  C   LIG    1       -4.096   0.526  -1.137  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -5.347  -0.022  -1.434  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.801  -1.141  -0.736  0.00  0.00    +0.019 A 
BRANCH  17  24
ATOM     23  N   LIG    1       -5.837  -3.791   1.566  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1       -5.466  -2.860   0.981  0.00  0.00    +0.099 C 
ENDBRANCH  17  24
ENDBRANCH   1  19
BRANCH   7  25
ATOM     25  C   LIG    1        3.943  -0.685  -3.312  0.00  0.00    +0.169 C 
ATOM     26  N   LIG    1        4.152  -0.782  -4.446  0.00  0.00    -0.174 NA
ENDBRANCH   7  25
TORSDOF 3