REMARK  Name = BDB018701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.976   0.240   0.272  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        1.109  -0.654  -0.369  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.186  -0.815   0.113  0.00  0.00    +0.074 A 
ATOM      4  N   LIG    1       -1.084  -1.679  -0.531  0.00  0.00    -0.281 N 
ATOM      5  H   LIG    1       -0.770  -2.314  -1.254  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -2.404  -1.772  -0.147  0.00  0.00    +0.242 C 
ATOM      7  C   LIG    1       -2.902  -0.683   0.847  0.00  0.00    +0.128 C 
ATOM      8  C   LIG    1       -3.391   0.550   0.050  0.00  0.00    +0.151 C 
ATOM      9  N   LIG    1       -4.889   0.516   0.082  0.00  0.00    -0.267 N 
ATOM     10  C   LIG    1       -5.299  -0.777   0.681  0.00  0.00    +0.119 C 
ATOM     11  N   LIG    1       -1.848  -0.328   1.815  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1       -2.047   0.405   2.490  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1       -4.148  -1.144   1.603  0.00  0.00    +0.056 C 
ATOM     14  O   LIG    1       -3.134  -2.623  -0.652  0.00  0.00    -0.273 OA
ATOM     15  C   LIG    1       -0.593  -0.102   1.250  0.00  0.00    +0.141 A 
ATOM     16  N   LIG    1        0.208   0.770   1.878  0.00  0.00    -0.238 NA
ATOM     17  C   LIG    1        1.462   0.919   1.381  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        5.996   0.871  -1.109  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1        5.537  -0.421  -0.843  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1        4.228  -0.624  -0.394  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        3.351   0.457  -0.201  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1        3.829   1.750  -0.473  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        5.138   1.957  -0.923  0.00  0.00    +0.019 A 
BRANCH  18  25
ATOM     24  N   LIG    1        8.422   1.250  -1.945  0.00  0.00    -0.191 NA
ATOM     25  C   LIG    1        7.337   1.081  -1.571  0.00  0.00    +0.099 C 
ENDBRANCH  18  25
ENDBRANCH   1  21
BRANCH   9  26
ATOM     26  C   LIG    1       -5.660   1.224  -0.754  0.00  0.00    +0.169 C 
ATOM     27  N   LIG    1       -6.316   1.836  -1.485  0.00  0.00    -0.174 NA
ENDBRANCH   9  26
TORSDOF 3