REMARK  Name = BDB062918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.531   1.029   1.709  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -2.362   0.617   0.678  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -2.494  -0.625  -0.066  0.00  0.00    -0.006 A 
ATOM      4  C   LIG    1       -3.495  -0.471  -1.042  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -4.038   0.896  -0.921  0.00  0.00    +0.194 C 
ATOM      6  O   LIG    1       -4.909   1.396  -1.599  0.00  0.00    -0.287 OA
ATOM      7  C   LIG    1       -3.868  -1.469  -1.923  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -3.205  -2.690  -1.814  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.210  -2.878  -0.837  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.852  -1.847   0.045  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -3.303   1.541   0.186  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -3.466   2.822   0.685  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -2.644   3.207   1.743  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -1.683   2.317   2.255  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  19
ATOM     15  N   LIG    1        3.374  -0.268   0.255  0.00  0.00    -0.290 NA
ATOM     16  C   LIG    1        2.577   0.974   0.164  0.00  0.00    +0.104 C 
ATOM     17  C   LIG    1        1.056   0.808   0.360  0.00  0.00    +0.123 C 
ATOM     18  N   LIG    1        0.720   0.068   1.583  0.00  0.00    -0.295 N 
ATOM     19  C   LIG    1       -0.483   0.162   2.268  0.00  0.00    +0.247 C 
ATOM     20  O   LIG    1       -0.732  -0.433   3.311  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1        1.754  -0.830   2.097  0.00  0.00    +0.123 C 
ATOM     22  C   LIG    1        2.663  -1.345   0.969  0.00  0.00    +0.104 C 
BRANCH  15  23
ATOM     23  C   LIG    1        3.865  -0.742  -1.054  0.00  0.00    +0.205 C 
BRANCH  23  25
ATOM     24  O   LIG    1        5.315   1.262  -1.255  0.00  0.00    -0.250 OA
ATOM     25  C   LIG    1        4.933   0.173  -1.650  0.00  0.00    +0.319 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.461  -0.350  -2.780  0.00  0.00    -0.480 OA
ATOM     27  H   LIG    1        6.125   0.318  -3.051  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH   1  19
TORSDOF 4