REMARK  Name = BDB017846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.544  -0.390   0.061  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        2.509  -1.185   0.589  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.219  -0.683   0.572  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -0.013  -1.306   1.065  0.00  0.00    +0.250 C 
ATOM      5  N   LIG    1       -1.051  -0.430   0.803  0.00  0.00    -0.257 N 
ATOM      6  C   LIG    1       -0.585   0.812   0.194  0.00  0.00    +0.192 C 
ATOM      7  O   LIG    1       -0.057  -2.388   1.618  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.902   0.571   0.060  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        1.901   1.376  -0.461  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        3.215   0.889  -0.458  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.852   2.033   1.097  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.422   3.214   0.581  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.651   4.323   1.402  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.310   4.271   2.750  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -1.593   5.636   3.757  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -0.738   3.122   3.285  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -0.508   2.013   2.466  0.00  0.00    +0.010 A 
ENDBRANCH   6  11
BRANCH   1  19
ATOM     18  C   LIG    1        5.113  -2.195  -0.754  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1        4.986  -0.899   0.058  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        5.495  -1.103   1.490  0.00  0.00    +0.046 C 
BRANCH  19  21
ATOM     21  O   LIG    1        5.841   0.070  -0.563  0.00  0.00    -0.385 OA
ATOM     22  H   LIG    1        6.749  -0.279  -0.540  0.00  0.00    +0.211 HD
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   6  23
ATOM     23  O   LIG    1       -1.223   1.014  -1.073  0.00  0.00    -0.345 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -0.973   0.043  -2.098  0.00  0.00    +0.191 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.579   0.577  -3.394  0.00  0.00    +0.184 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -2.969   0.839  -3.226  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -3.050   1.250  -2.346  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
BRANCH   5  28
ATOM     28  C   LIG    1       -2.408  -0.643   1.274  0.00  0.00    +0.146 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.285  -1.342   0.266  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -3.110  -2.709  -0.004  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -3.910  -3.355  -0.948  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -4.890  -2.638  -1.630  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1       -5.873  -3.433  -2.797  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1       -5.080  -1.282  -1.371  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1       -4.281  -0.636  -0.424  0.00  0.00    +0.006 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 9