REMARK  Name = BDB051754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.941  -0.335   2.232  0.00  0.00    +0.070 C 
ATOM      2  C   LIG    1        1.821  -0.511   1.198  0.00  0.00    +0.178 C 
ATOM      3  N   LIG    1        1.205   0.742   0.730  0.00  0.00    -0.307 N 
ATOM      4  C   LIG    1       -0.091   0.783   0.275  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1       -0.421   2.050  -0.144  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.752   2.836   0.027  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        1.047   4.190  -0.244  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        2.335   4.682  -0.036  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.335   3.841   0.429  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.075   2.495   0.710  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -1.726   2.222  -0.638  0.00  0.00    -0.008 A 
ATOM     12  C   LIG    1       -2.381   3.467  -1.159  0.00  0.00    +0.141 C 
ATOM     13  N   LIG    1       -3.688   3.012  -1.540  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1       -4.421   3.585  -1.936  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1       -3.889   1.667  -1.319  0.00  0.00    +0.245 C 
ATOM     16  O   LIG    1       -4.917   1.071  -1.568  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -2.648   1.130  -0.742  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1       -2.372  -0.196  -0.372  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -2.997  -1.482  -0.368  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -2.078  -2.404   0.170  0.00  0.00    +0.052 A 
ATOM     21  C   LIG    1       -2.383  -3.770   0.302  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -3.641  -4.212  -0.115  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.568  -3.324  -0.647  0.00  0.00    +0.001 A 
ATOM     24  N   LIG    1       -0.938  -1.696   0.504  0.00  0.00    -0.311 N 
ATOM     25  C   LIG    1        0.222  -2.231   1.203  0.00  0.00    +0.226 C 
ATOM     26  C   LIG    1        1.352  -2.744   0.331  0.00  0.00    +0.096 C 
ATOM     27  C   LIG    1       -4.258  -1.966  -0.777  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -1.109  -0.391   0.153  0.00  0.00    +0.077 A 
ATOM     29  C   LIG    1        1.773   1.995   0.524  0.00  0.00    +0.053 A 
ATOM     30  C   LIG    1        2.160  -1.488   0.007  0.00  0.00    +0.141 C 
ATOM     31  O   LIG    1        0.802  -1.190   2.000  0.00  0.00    -0.328 OA
ENDROOT
BRANCH  30  32
ATOM     32  O   LIG    1        1.700  -1.071  -1.301  0.00  0.00    -0.381 OA
ATOM     33  H   LIG    1        1.931  -0.134  -1.447  0.00  0.00    +0.210 HD
ENDBRANCH  30  32
BRANCH  30  34
ATOM     34  C   LIG    1        3.653  -1.794  -0.185  0.00  0.00    +0.195 C 
BRANCH  34  35
ATOM     35  O   LIG    1        3.830  -2.719  -1.258  0.00  0.00    -0.392 OA
ATOM     36  H   LIG    1        3.190  -2.454  -1.951  0.00  0.00    +0.210 HD
ENDBRANCH  34  35
ENDBRANCH  30  34
TORSDOF 3