REMARK  Name = BDB051614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.438   1.573  -0.861  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        1.126   0.361  -1.493  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.127  -0.238  -1.320  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -1.089   0.373  -0.505  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -0.780   1.585   0.130  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        0.473   2.179  -0.047  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -2.372  -0.214  -0.304  0.00  0.00    -0.239 N 
ATOM      8  N   LIG    1       -3.291   0.403   0.486  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1       -4.372  -0.395   0.514  0.00  0.00    +0.105 A 
ATOM     10  C   LIG    1       -4.117  -1.531  -0.335  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -4.971  -2.591  -0.618  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -6.203  -2.448   0.050  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.518  -1.347   0.905  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.617  -0.280   1.168  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -2.853  -1.391  -0.835  0.00  0.00    +0.123 A 
BRANCH  14  16
ATOM     16  C   LIG    1       -5.951   0.835   2.067  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -5.139   1.359   2.816  0.00  0.00    -0.270 OA
ATOM     18  N   LIG    1       -7.251   1.268   2.034  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -7.435   2.119   2.551  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -7.857   1.059   1.254  0.00  0.00    +0.145 HD
ENDBRANCH  14  16
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1        2.805   2.195  -1.033  0.00  0.00    +0.142 C 
BRANCH  21  23
ATOM     22  C   LIG    1        3.762   1.738   1.215  0.00  0.00    +0.132 C 
ATOM     23  N   LIG    1        3.823   1.526  -0.223  0.00  0.00    -0.300 N 
ATOM     24  C   LIG    1        4.602   0.528  -0.824  0.00  0.00    +0.221 C 
ATOM     25  O   LIG    1        4.562   0.349  -2.049  0.00  0.00    -0.275 OA
BRANCH  24  26
ATOM     26  C   LIG    1        5.506  -0.324   0.092  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1        6.188  -1.564  -0.531  0.00  0.00    +0.095 C 
ATOM     28  N   LIG    1        5.964  -2.287   0.744  0.00  0.00    -0.314 NA
ATOM     29  H   LIG    1        6.738  -2.188   1.402  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        4.837  -1.366   1.015  0.00  0.00    +0.095 C 
ENDBRANCH  24  26
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5