REMARK  Name = BDB053735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.771  -0.460   0.691  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        0.452  -1.797   1.012  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1       -0.818  -2.082   0.506  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.330  -3.386   0.612  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -0.555  -4.321   1.291  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        0.671  -3.934   1.799  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -1.298  -0.917  -0.093  0.00  0.00    -0.278 N 
ATOM      8  N   LIG    1        1.210  -2.707   1.675  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1       -0.325   0.074   0.035  0.00  0.00    +0.221 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        1.893   1.239   1.811  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.965   0.289   1.033  0.00  0.00    +0.254 C 
ATOM     12  N   LIG    1        3.155  -0.078   0.413  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        4.387   0.634   0.737  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        5.105   1.121  -0.538  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        5.122   0.177  -1.679  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        4.469   0.532  -2.379  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        4.664  -1.160  -1.268  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        3.280  -1.139  -0.591  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -2.572  -0.759  -0.721  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.712  -1.358  -0.170  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.957  -1.188  -0.780  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.071  -0.421  -1.938  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.942   0.182  -2.487  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.694   0.017  -1.882  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  O   LIG    1       -0.498   1.319  -0.422  0.00  0.00    -0.437 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.175   2.269   0.316  0.00  0.00    +0.151 A 
ATOM     27  C   LIG    1       -1.578   3.437  -0.353  0.00  0.00    +0.083 A 
ATOM     28 CL   LIG    1       -1.246   3.672  -2.033  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -2.272   4.442   0.329  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1       -2.562   4.288   1.684  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1       -2.151   3.135   2.344  0.00  0.00    +0.127 A 
ATOM     32  F   LIG    1       -2.429   2.993   3.647  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -1.459   2.128   1.678  0.00  0.00    +0.086 A 
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 4