REMARK  Name = BDB016145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.003   1.363  -0.355  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -2.806   0.484   0.443  0.00  0.00    +0.056 A 
ATOM      3  N   LIG    1       -2.221  -0.720   0.853  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.452  -0.992   0.244  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.961  -1.867   1.343  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.663  -1.539   2.637  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.947  -0.804   2.443  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -5.023   0.289   1.649  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -5.942   0.709   1.718  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.961  -1.148   3.058  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.821  -2.511   0.258  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -4.093   0.940   0.814  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -4.570   2.169   0.308  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -3.792   2.981  -0.509  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -2.506   2.583  -0.832  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        0.382   0.956   0.128  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1       -0.617   1.052  -0.763  0.00  0.00    +0.010 C 
BRANCH  16  21
ATOM     18  C   LIG    1        4.501   0.126  -0.777  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        4.142   0.929   0.310  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        2.796   1.196   0.590  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.782   0.675  -0.219  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1        2.144  -0.141  -1.297  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        3.491  -0.408  -1.577  0.00  0.00    +0.024 A 
BRANCH  18  26
ATOM     24  C   LIG    1        7.971  -0.853  -1.889  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1        6.465  -0.853  -1.986  0.00  0.00    +0.214 C 
ATOM     26  N   LIG    1        5.878  -0.093  -0.991  0.00  0.00    -0.286 N 
ATOM     27  H   LIG    1        6.502   0.355  -0.333  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1        5.895  -1.496  -2.860  0.00  0.00    -0.276 OA
ENDBRANCH  18  26
ENDBRANCH  16  21
ENDBRANCH   1  17
TORSDOF 3