REMARK  Name = BDB008595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.876   1.802   0.554  0.00  0.00    -0.346 N 
ATOM      2  C   LIG    1        1.542   2.038   0.815  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        1.272   3.339   0.382  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -0.041   3.833   0.502  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.045   3.025   1.053  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -0.771   1.730   1.503  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        2.490   3.894  -0.122  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1        2.675   5.257  -0.683  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        0.541   1.225   1.378  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        3.457   2.920   0.012  0.00  0.00    +0.090 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -1.848   0.823   2.104  0.00  0.00    +0.104 C 
ATOM     12  C   LIG    1       -3.114   1.514   2.628  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.161  -0.309   1.206  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -2.691  -0.042  -0.063  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -3.164   1.060  -0.366  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -2.570  -1.121  -1.165  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -3.043  -2.419  -0.832  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -2.876  -3.375  -1.888  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -1.892  -2.965  -2.998  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -0.705  -2.325  -2.438  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -0.053  -2.047  -3.173  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -1.097  -1.141  -1.651  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -1.823  -1.639   1.667  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -2.906  -2.628   2.026  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -2.020  -2.089   3.098  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   6  11
BRANCH   1  26
ATOM     26  C   LIG    1        3.596   0.565   0.801  0.00  0.00    +0.124 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.866  -0.250  -0.462  0.00  0.00    +0.049 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.589  -0.741  -1.139  0.00  0.00    +0.161 C 
BRANCH  28  30
ATOM     29  C   LIG    1        3.074  -2.908  -1.983  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        2.901  -1.530  -2.288  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8