REMARK  Name = BDB049359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.195  -1.277  -0.271  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        3.802   0.065  -0.155  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.447   0.361   0.060  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        1.844   1.596   0.226  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        0.583   1.306   0.407  0.00  0.00    +0.115 A 
ATOM      6  C   LIG    1       -0.655   2.064   0.710  0.00  0.00    +0.061 C 
ATOM      7  C   LIG    1       -1.738   1.000   0.367  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.048  -0.382   0.548  0.00  0.00    +0.104 C 
ATOM      9  N   LIG    1        0.349  -0.035   0.331  0.00  0.00    -0.323 N 
ATOM     10  C   LIG    1        1.519  -0.687   0.143  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1        1.884  -2.030   0.039  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        3.243  -2.303  -0.174  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        6.200  -0.323  -2.705  0.00  0.00    +0.070 C 
ATOM     14  C   LIG    1        6.475  -1.192  -1.537  0.00  0.00    +0.088 A 
ATOM     15  C   LIG    1        5.588  -1.595  -0.503  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        6.366  -2.384   0.315  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        6.141  -3.116   1.576  0.00  0.00    +0.090 C 
ATOM     18  O   LIG    1        7.622  -2.461  -0.202  0.00  0.00    -0.359 OA
ATOM     19  N   LIG    1        7.695  -1.714  -1.362  0.00  0.00    -0.083 NA
ENDBRANCH   1  15
BRANCH   6  20
ATOM     20  C   LIG    1       -0.776   3.353  -0.102  0.00  0.00    +0.046 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.014   4.143   0.254  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1       -3.147   4.105  -0.568  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -4.295   4.821  -0.224  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.320   5.581   0.944  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.198   5.627   1.769  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.050   4.911   1.427  0.00  0.00    +0.003 A 
ENDBRANCH  20  21
ENDBRANCH   6  20
BRANCH   8  27
ATOM     27  C   LIG    1       -1.591  -1.446  -0.420  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.051  -1.645  -0.338  0.00  0.00    -0.296 NA
ATOM     29  C   LIG    1       -3.512  -2.511  -1.449  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -5.021  -2.788  -1.362  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1       -5.359  -3.403  -0.112  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1       -4.973  -2.550   0.972  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1       -3.462  -2.264   0.943  0.00  0.00    +0.112 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5