REMARK  Name = BDB003916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.422   0.825  -0.410  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1       -2.242  -0.379  -0.604  0.00  0.00    +0.121 C 
ATOM      3  C   LIG    1       -3.702   0.075  -0.351  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -4.098  -0.198   1.107  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -3.439  -0.878   1.887  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -5.250   0.409   1.542  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -5.209   0.509   2.552  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -6.473  -0.163   1.334  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -7.275  -0.204   2.268  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -6.784  -0.837   0.019  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -6.119  -0.230  -1.204  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -4.653  -0.639  -1.323  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -3.621   1.590  -0.624  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.245   1.983  -0.097  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        2.772   0.698   0.163  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        2.049   1.857   0.451  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        0.660   1.893   0.261  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -0.059   0.783  -0.213  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        0.696  -0.366  -0.504  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        2.086  -0.417  -0.320  0.00  0.00    +0.017 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.244   0.709   0.380  0.00  0.00    +0.340 C 
ATOM     22  O   LIG    1        4.851   1.686   0.787  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        4.772  -0.496   0.062  0.00  0.00    -0.455 OA
BRANCH  23  25
ATOM     24  C   LIG    1        6.651  -0.614   1.651  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        6.196  -0.740   0.193  0.00  0.00    +0.106 C 
ATOM     26  C   LIG    1        7.004   0.168  -0.741  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        6.384  -2.197  -0.257  0.00  0.00    +0.055 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 4