REMARK  Name = BDB053132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.019   1.199  -0.405  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -0.323   1.241   0.176  0.00  0.00    +0.192 C 
ATOM      3  C   LIG    1       -1.169   1.633  -1.020  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -0.355   1.777  -2.143  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.842   2.144  -3.384  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -2.212   2.386  -3.489  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.048   2.268  -2.364  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.529   1.898  -1.118  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        1.032   1.511  -1.749  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        1.984   1.581  -2.502  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -0.424   2.318   1.277  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.105   3.611   1.081  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.004   4.593   2.070  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.649   4.301   3.268  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -0.784   5.509   4.485  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -1.186   3.035   3.485  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.077   2.053   2.496  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   1  18
ATOM     18  C   LIG    1        2.213   0.884   0.357  0.00  0.00    +0.146 C 
BRANCH  18  22
ATOM     19  C   LIG    1        3.227  -3.315   0.189  0.00  0.00    +0.052 A 
ATOM     20  C   LIG    1        3.563  -2.468  -0.871  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        3.242  -1.110  -0.811  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        2.583  -0.580   0.308  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.254  -1.436   1.368  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        2.572  -2.795   1.309  0.00  0.00    +0.019 A 
BRANCH  19  26
ATOM     25  N   LIG    1        3.793  -5.843   0.060  0.00  0.00    -0.191 NA
ATOM     26  C   LIG    1        3.541  -4.711   0.121  0.00  0.00    +0.099 C 
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH   1  18
BRANCH   2  27
ATOM     27  O   LIG    1       -0.567  -0.038   0.763  0.00  0.00    -0.344 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -1.383  -0.993   0.107  0.00  0.00    +0.124 C 
ATOM     29  C   LIG    1       -1.578  -2.180   1.050  0.00  0.00    +0.063 C 
ATOM     30  C   LIG    1       -1.868  -3.337   0.114  0.00  0.00    +0.117 C 
ATOM     31  C   LIG    1       -0.863  -3.120  -1.004  0.00  0.00    +0.034 C 
ATOM     32  C   LIG    1       -0.784  -1.604  -1.169  0.00  0.00    +0.034 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -1.672  -4.574   0.768  0.00  0.00    -0.392 OA
ATOM     34  H   LIG    1       -1.720  -5.277   0.097  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 7