REMARK  Name = BDB003751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.441  -0.404   0.389  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.433   0.580   0.433  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.880   1.905   0.526  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.063   2.922   0.595  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -1.437   2.661   0.560  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.901   1.354   0.434  0.00  0.00    -0.024 A 
ATOM      7  N   LIG    1        2.171   2.236   0.552  0.00  0.00    -0.225 NA
ATOM      8  C   LIG    1        3.047   1.223   0.474  0.00  0.00    +0.198 A 
ATOM      9  C   LIG    1       -0.962   0.319   0.383  0.00  0.00    +0.021 A 
ATOM     10  N   LIG    1        2.739  -0.078   0.393  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        4.457   1.589   0.490  0.00  0.00    +0.172 A 
ATOM     12  O   LIG    1        5.373   0.571   0.432  0.00  0.00    -0.460 OA
ATOM     13  C   LIG    1        6.607   1.136   0.459  0.00  0.00    +0.196 A 
ATOM     14  C   LIG    1        6.510   2.504   0.535  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1        5.125   2.798   0.556  0.00  0.00    +0.053 A 
ENDBRANCH   8  11
BRANCH   1  16
ATOM     16  N   LIG    1        1.072  -1.759   0.316  0.00  0.00    -0.326 N 
ATOM     17  H   LIG    1        0.426  -1.955   1.077  0.00  0.00    +0.148 HD
BRANCH  16  19
ATOM     18  C   LIG    1        2.960  -2.939   1.452  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1        2.085  -2.819   0.208  0.00  0.00    +0.066 C 
ATOM     20  C   LIG    1        2.889  -2.742  -1.087  0.00  0.00    +0.027 C 
ENDBRANCH  16  19
ENDBRANCH   1  16
BRANCH   6  21
ATOM     21  C   LIG    1       -3.347   1.107   0.412  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -3.943   0.191  -0.371  0.00  0.00    +0.007 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.427  -0.088  -0.437  0.00  0.00    +0.079 C 
ATOM     24  C   LIG    1       -5.703  -1.542  -0.047  0.00  0.00    +0.045 C 
ATOM     25  C   LIG    1       -5.952   0.203  -1.845  0.00  0.00    +0.045 C 
BRANCH  23  26
ATOM     26  O   LIG    1       -6.119   0.757   0.481  0.00  0.00    -0.385 OA
ATOM     27  H   LIG    1       -7.067   0.558   0.408  0.00  0.00    +0.211 HD
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   6  21
TORSDOF 6