REMARK  Name = BDB006935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.849  -0.369   0.496  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.124  -1.367   0.466  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.473  -1.209   0.838  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.151  -2.415   0.724  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.490  -2.456   1.043  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        4.170  -1.367   1.460  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        3.488  -0.190   1.564  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.255  -3.526   0.255  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.746  -4.130  -1.065  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.117  -4.617   1.323  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.132  -0.071   1.261  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.085  -2.768   0.058  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.634   0.774   0.902  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.235  -0.815  -0.030  0.00  0.00    +0.181 C 
BRANCH  14  21
ATOM     15  C   LIG    1       -3.791   3.465  -2.079  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1       -3.998   2.470  -0.935  0.00  0.00    +0.065 C 
ATOM     17  N   LIG    1       -5.414   2.043  -0.879  0.00  0.00    -0.311 NA
ATOM     18  H   LIG    1       -5.972   2.550  -1.565  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1       -5.546   0.601  -1.081  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1       -4.627  -0.261  -0.168  0.00  0.00    +0.102 C 
ATOM     21  N   LIG    1       -3.239   0.267  -0.043  0.00  0.00    -0.286 NA
ATOM     22  C   LIG    1       -2.963   1.310  -1.040  0.00  0.00    +0.103 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.245  -0.377   1.236  0.00  0.00    +0.233 C 
ATOM     24  F   LIG    1       -4.645  -1.402   1.910  0.00  0.00    -0.247 F 
ENDBRANCH  20  23
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   7  25
ATOM     25  C   LIG    1        4.270   1.022   2.020  0.00  0.00    +0.090 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.590   1.992   0.906  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        5.581   1.683  -0.038  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.875   2.571  -1.073  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.180   3.774  -1.179  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.189   4.089  -0.250  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.893   3.203   0.787  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 5