REMARK  Name = BDB048098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.133  -0.164   1.624  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        1.319   0.434   0.232  0.00  0.00    +0.174 C 
ENDROOT
BRANCH   2   3
ATOM      3  O   LIG    1        2.188  -0.444  -0.502  0.00  0.00    -0.485 OA
BRANCH   3   4
ATOM      4  C   LIG    1        3.125   0.232  -1.236  0.00  0.00    +0.163 A 
ATOM      5  C   LIG    1        4.221   0.875  -0.646  0.00  0.00    +0.171 A 
ATOM      6  C   LIG    1        5.163   1.528  -1.446  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1        5.027   1.492  -2.832  0.00  0.00    +0.045 A 
ATOM      8 CL   LIG    1        6.188   2.284  -3.824  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        3.961   0.815  -3.425  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.011   0.177  -2.624  0.00  0.00    +0.051 A 
BRANCH   5  11
ATOM     11  O   LIG    1        4.327   0.902   0.726  0.00  0.00    -0.452 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.468   0.350   1.266  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1        5.973  -0.889   0.864  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        7.117  -1.402   1.476  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        7.743  -0.686   2.498  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.223   0.540   2.913  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        6.080   1.056   2.302  0.00  0.00    +0.046 A 
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   3   4
ENDBRANCH   2   3
BRANCH   2  18
ATOM     18  C   LIG    1       -0.012   0.583  -0.517  0.00  0.00    +0.085 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.694  -0.744  -0.852  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.883  -0.514  -1.613  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.064  -0.320  -0.954  0.00  0.00    +0.123 A 
ATOM     22  C   LIG    1       -4.180  -0.233  -1.786  0.00  0.00    +0.084 A 
ATOM     23  C   LIG    1       -5.444  -0.029  -1.241  0.00  0.00    +0.130 A 
ATOM     24  F   LIG    1       -6.500   0.040  -2.063  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -5.629   0.102   0.137  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1       -4.508   0.013   0.969  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -3.233  -0.194   0.426  0.00  0.00    +0.046 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -7.006   0.311   0.710  0.00  0.00    +0.049 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -7.780  -1.000   0.816  0.00  0.00    +0.125 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -9.133  -0.778   1.429  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1       -9.599   0.271   1.838  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -9.842  -1.922   1.514  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1      -10.692  -1.649   1.918  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 12