REMARK  Name = BDB009584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.188  -0.035   2.152  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        0.275   0.235   1.831  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        1.135   0.275   2.708  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1        0.559   0.439   0.485  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.487   0.507  -0.551  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -1.730  -0.401  -0.267  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -1.700  -1.046   1.129  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -0.918   1.942  -0.873  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -1.419   2.225  -2.158  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.843   3.513  -2.496  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.773   4.533  -1.552  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -2.295   6.119  -1.965  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.282   4.275  -0.275  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.858   2.986   0.063  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -1.935  -1.456  -1.347  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -3.095  -1.434  -2.137  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -3.287  -2.390  -3.136  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -4.713  -2.343  -4.098  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -2.333  -3.377  -3.363  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -1.177  -3.411  -2.585  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -0.979  -2.458  -1.584  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1       -1.346  -0.581   3.576  0.00  0.00    +0.133 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -0.733   0.155   5.806  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -1.055   0.426   4.659  0.00  0.00    +0.305 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -1.276   1.705   4.306  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1       -1.030   2.204   5.114  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1        1.945   0.701   0.082  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.616  -0.518  -0.578  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1        2.830  -1.701   0.368  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        4.097  -1.358   1.145  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        4.898  -0.417   0.246  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        4.051  -0.201  -1.006  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7