REMARK  Name = BDB019000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.476  -0.299   0.967  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1       -1.849  -0.132   0.651  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -2.848  -0.942   1.215  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -4.197  -0.749   0.868  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -4.590   0.276  -0.005  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -3.614   1.127  -0.544  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.501  -2.044   2.179  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.155  -1.781   2.831  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -2.263   0.915  -0.193  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.124  -1.503   1.750  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  23
ATOM     11  C   LIG    1        7.070  -1.681   2.069  0.00  0.00    +0.129 C 
ATOM     12  N   LIG    1        6.706  -0.635   1.143  0.00  0.00    -0.302 N 
ATOM     13  H   LIG    1        7.467  -0.041   0.856  0.00  0.00    +0.150 HD
ATOM     14  C   LIG    1        5.530   0.050   1.339  0.00  0.00    +0.302 C 
ATOM     15  N   LIG    1        5.274   1.039   0.399  0.00  0.00    -0.278 N 
ATOM     16  C   LIG    1        5.881   1.085  -0.938  0.00  0.00    +0.154 C 
ATOM     17  C   LIG    1        5.046   0.309  -1.970  0.00  0.00    +0.188 C 
ATOM     18  C   LIG    1        5.832   0.146  -3.269  0.00  0.00    +0.053 C 
ATOM     19  O   LIG    1        3.858   1.052  -2.306  0.00  0.00    -0.487 OA
ATOM     20  C   LIG    1        2.820   0.748  -1.465  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        2.852   1.045  -0.099  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        1.744   0.686   0.687  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1        0.614   0.068   0.128  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        0.604  -0.186  -1.251  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        1.697   0.160  -2.045  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1        4.016   1.764   0.535  0.00  0.00    +0.148 C 
ATOM     27  O   LIG    1        4.779  -0.203   2.276  0.00  0.00    -0.253 OA
ENDBRANCH   1  23
BRANCH   5  28
ATOM     28  C   LIG    1       -6.001   0.423  -0.296  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -6.774  -0.548  -0.896  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1       -8.033  -0.028  -0.983  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1       -9.195  -0.659  -1.560  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1       -8.144   1.203  -0.453  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1       -6.902   1.482  -0.047  0.00  0.00    +0.142 A 
ENDBRANCH   5  28
BRANCH   6  34
ATOM     34  C   LIG    1       -3.948   2.261  -1.478  0.00  0.00    +0.372 C 
ATOM     35  F   LIG    1       -4.615   3.275  -0.861  0.00  0.00    -0.204 F 
ATOM     36  F   LIG    1       -4.716   1.883  -2.538  0.00  0.00    -0.204 F 
ENDBRANCH   6  34
TORSDOF 3