REMARK  Name = BDB018650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -7.015  -0.794  -0.447  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -6.249   0.483  -0.308  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -4.761   0.101  -0.272  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -4.097   0.310  -1.635  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -4.720   0.363  -2.693  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -2.726   0.318  -1.651  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -2.296   0.310  -2.568  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -1.927   0.417  -0.508  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.525   0.673   0.727  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -1.721   0.793   1.862  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -0.335   0.644   1.757  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        0.278   0.393   0.517  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1       -0.542   0.288  -0.619  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -4.009   0.914   0.789  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -4.788  -1.400   0.058  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -6.044  -1.897  -0.639  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        1.739   0.247   0.412  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        2.431  -0.687   1.197  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.821  -0.828   1.095  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        4.566  -0.039   0.207  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        3.874   0.896  -0.576  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        2.484   1.036  -0.476  0.00  0.00    +0.009 A 
BRANCH  20  23
ATOM     23  C   LIG    1        6.027  -0.186   0.102  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        6.879   0.922   0.246  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        8.266   0.783   0.146  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        8.825  -0.468  -0.102  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.999  -1.580  -0.248  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.612  -1.439  -0.147  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH  12  17
BRANCH   1  30
ATOM     29  N   LIG    1       -9.392  -0.897  -1.205  0.00  0.00    -0.174 NA
ATOM     30  C   LIG    1       -8.289  -0.849  -0.859  0.00  0.00    +0.169 C 
ENDBRANCH   1  30
TORSDOF 3