REMARK  Name = BDB007183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.515   1.152   0.968  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -2.274   0.763  -0.356  0.00  0.00    +0.163 A 
ATOM      3  C   LIG    1       -1.043   0.229  -0.742  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -0.037   0.028   0.210  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1        1.302  -0.605  -0.144  0.00  0.00    +0.142 C 
ATOM      6  N   LIG    1        2.397   0.078   0.583  0.00  0.00    -0.260 N 
ATOM      7  C   LIG    1        2.231   0.383   1.946  0.00  0.00    +0.225 C 
ATOM      8  C   LIG    1        0.835   0.202   2.531  0.00  0.00    +0.132 C 
ATOM      9  O   LIG    1        3.142   0.715   2.710  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -0.268   0.414   1.535  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1       -1.504   0.962   1.914  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.291  -2.135   0.024  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1        0.441  -2.912  -0.789  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        0.402  -4.305  -0.673  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        1.220  -4.945   0.251  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        1.174  -6.659   0.393  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        2.078  -4.205   1.056  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        2.116  -2.811   0.941  0.00  0.00    +0.007 A 
ENDBRANCH   5  12
BRANCH   6  19
ATOM     19  C   LIG    1        3.649   0.310  -0.099  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        4.019  -0.424  -1.236  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        5.229  -0.180  -1.899  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        6.103   0.808  -1.453  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        5.752   1.552  -0.332  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        4.540   1.304   0.332  0.00  0.00    +0.027 A 
BRANCH  22  25
ATOM     25  O   LIG    1        7.245   0.944  -2.189  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1        8.167   1.940  -1.765  0.00  0.00    +0.277 C 
ENDBRANCH  22  25
ENDBRANCH   6  19
BRANCH   1  27
ATOM     27  O   LIG    1       -3.745   1.693   1.225  0.00  0.00    -0.489 OA
BRANCH  27  29
ATOM     28  C   LIG    1       -5.406   2.740   2.567  0.00  0.00    +0.048 C 
ATOM     29  C   LIG    1       -4.004   2.158   2.546  0.00  0.00    +0.226 C 
ENDBRANCH  27  29
ENDBRANCH   1  27
BRANCH   2  30
ATOM     30  O   LIG    1       -3.226   0.961  -1.325  0.00  0.00    -0.485 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -4.010  -0.224  -1.550  0.00  0.00    +0.170 C 
ATOM     32  C   LIG    1       -3.907  -0.569  -3.034  0.00  0.00    +0.052 C 
BRANCH  31  33
ATOM     33  C   LIG    1       -5.464   0.020  -1.115  0.00  0.00    +0.041 C 
ATOM     34  C   LIG    1       -6.113   1.251  -1.735  0.00  0.00    +0.007 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   2  30
TORSDOF 8