REMARK  Name = BDB018969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.824  -0.538  -0.249  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        1.823  -0.684  -1.224  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.483  -0.465  -0.858  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        0.109  -0.110   0.451  0.00  0.00    +0.038 A 
ATOM      5  N   LIG    1       -1.250   0.124   0.761  0.00  0.00    -0.298 N 
ATOM      6  C   LIG    1       -1.551   0.686   2.089  0.00  0.00    +0.111 C 
ATOM      7  C   LIG    1       -0.661   0.073   3.160  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        0.793   0.382   2.840  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.123   0.016   1.417  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        2.466  -0.184   1.060  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.354  -0.568   0.187  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1       -3.463   0.141  -0.335  0.00  0.00    +0.071 A 
ATOM     13  N   LIG    1       -3.406   1.540  -0.490  0.00  0.00    -0.330 N 
ATOM     14  H   LIG    1       -2.686   1.968   0.083  0.00  0.00    +0.147 HD
ATOM     15  C   LIG    1       -4.693   2.242  -0.565  0.00  0.00    +0.154 C 
ATOM     16  C   LIG    1       -5.766   1.468  -1.353  0.00  0.00    +0.237 C 
ATOM     17  N   LIG    1       -5.655   0.101  -1.384  0.00  0.00    -0.282 N 
ATOM     18  H   LIG    1       -6.399  -0.401  -1.845  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -6.740   2.024  -1.863  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1       -5.205   2.542   0.841  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -4.555  -0.584  -0.851  0.00  0.00    +0.056 A 
ATOM     22  C   LIG    1       -4.555  -1.979  -0.861  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -3.459  -2.673  -0.354  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -2.369  -1.973   0.166  0.00  0.00    +0.025 A 
ENDBRANCH   5  11
BRANCH   2  25
ATOM     25  C   LIG    1        2.156  -1.068  -2.645  0.00  0.00    +0.372 C 
ATOM     26  F   LIG    1        1.063  -1.150  -3.457  0.00  0.00    -0.204 F 
ATOM     27  F   LIG    1        2.750  -2.293  -2.721  0.00  0.00    -0.204 F 
ENDBRANCH   2  25
BRANCH   1  29
ATOM     28  C   LIG    1        4.994   0.348  -0.896  0.00  0.00    +0.077 C 
ATOM     29  C   LIG    1        4.253  -0.722  -0.556  0.00  0.00    +0.013 C 
BRANCH  28  31
ATOM     30  C   LIG    1        7.182   1.524  -1.139  0.00  0.00    +0.125 C 
ATOM     31  N   LIG    1        6.320   0.372  -1.265  0.00  0.00    -0.352 N 
ATOM     32  H   LIG    1        6.774  -0.536  -1.080  0.00  0.00    +0.145 HD
ENDBRANCH  28  31
BRANCH  29  33
ATOM     33  C   LIG    1        4.843  -2.092  -0.517  0.00  0.00    +0.111 C 
ATOM     34  N   LIG    1        6.108  -2.366  -0.540  0.00  0.00    -0.307 NA
ATOM     35  H   LIG    1        6.231  -3.385  -0.504  0.00  0.00    +0.186 HD
ENDBRANCH  29  33
ENDBRANCH   1  29
TORSDOF 5