REMARK  Name = BDB000904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.251   1.707  -1.599  0.00  0.00    +0.168 A 
ATOM      2  N   LIG    1       -0.482   2.711  -2.171  0.00  0.00    -0.114 NA
ATOM      3  N   LIG    1       -1.357   3.147  -1.274  0.00  0.00    -0.064 NA
ATOM      4  N   LIG    1       -1.179   2.417  -0.157  0.00  0.00    -0.248 N 
ATOM      5  C   LIG    1       -0.183   1.502  -0.314  0.00  0.00    +0.154 A 
ENDROOT
BRANCH   1   8
ATOM      6  O   LIG    1        2.061  -0.316  -0.683  0.00  0.00    -0.252 OA
ATOM      7  C   LIG    1        2.078   0.100  -1.835  0.00  0.00    +0.309 C 
ATOM      8  N   LIG    1        1.235   1.080  -2.321  0.00  0.00    -0.251 N 
ATOM      9  H   LIG    1        1.367   1.458  -3.244  0.00  0.00    +0.158 HD
ATOM     10  N   LIG    1        2.935  -0.346  -2.832  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        2.726  -0.033  -3.768  0.00  0.00    +0.156 HD
BRANCH  10  12
ATOM     12  C   LIG    1        3.988  -1.276  -2.711  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.646  -1.654  -3.889  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        5.720  -2.563  -3.866  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        6.121  -3.107  -2.640  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        5.474  -2.734  -1.464  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        4.416  -1.821  -1.499  0.00  0.00    +0.023 A 
BRANCH  14  18
ATOM     18  C   LIG    1        6.401  -2.973  -5.148  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        7.717  -3.283  -4.982  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        6.366  -2.001  -6.102  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        5.824  -4.070  -5.713  0.00  0.00    -0.166 F 
ENDBRANCH  14  18
ENDBRANCH  10  12
ENDBRANCH   1   8
BRANCH   4  22
ATOM     22  C   LIG    1       -2.001   2.646   1.010  0.00  0.00    +0.164 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.426   2.144   0.790  0.00  0.00    +0.126 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.241   2.282   1.997  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1       -5.203   2.565   1.830  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.181   1.220   2.904  0.00  0.00    +0.136 A 
ATOM     27  C   LIG    1       -5.226   0.939   3.796  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1       -5.101  -0.129   4.679  0.00  0.00    +0.083 A 
ATOM     29  C   LIG    1       -6.248  -0.277   5.513  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1       -7.212   0.670   5.254  0.00  0.00    +0.048 A 
ATOM     31  N   LIG    1       -4.004  -0.922   4.719  0.00  0.00    -0.235 NA
ATOM     32  C   LIG    1       -3.058  -0.581   3.841  0.00  0.00    +0.223 A 
ATOM     33  S   LIG    1       -6.742   1.734   4.002  0.00  0.00    -0.092 S 
ATOM     34  N   LIG    1       -3.088   0.427   2.955  0.00  0.00    -0.220 NA
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 7