REMARK  Name = BDB017557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.569  -2.264   1.117  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.534  -1.480   0.353  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -2.815  -0.329  -0.424  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -1.763   0.194  -1.209  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -2.009   1.215  -2.132  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -1.271   1.544  -2.739  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -3.242   1.739  -2.374  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -4.338   1.302  -1.475  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -5.658   2.008  -1.642  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -6.787   1.336  -0.859  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.310   0.958   0.536  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -5.122   0.117   0.432  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.721  -0.090   1.343  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -3.420   2.569  -3.261  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -0.459  -0.310  -1.142  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -0.165  -1.383  -0.302  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1       -4.132   0.374  -0.516  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -1.209  -1.966   0.424  0.00  0.00    +0.009 A 
ENDROOT
BRANCH  16  19
ATOM     19  C   LIG    1        1.243  -1.934  -0.215  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.798  -1.929   1.154  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        1.915  -0.555   1.698  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        2.882   0.387   0.930  0.00  0.00    +0.122 C 
ATOM     23  N   LIG    1        4.019  -0.360   0.340  0.00  0.00    -0.312 N 
ATOM     24  C   LIG    1        4.362  -1.569   1.108  0.00  0.00    +0.122 C 
ATOM     25  C   LIG    1        3.153  -2.546   1.142  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.121   0.487   0.100  0.00  0.00    +0.140 A 
ATOM     27  C   LIG    1        5.134   1.380  -0.990  0.00  0.00    +0.081 A 
ATOM     28 CL   LIG    1        3.862   1.457  -2.160  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1        6.236   2.217  -1.179  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1        7.304   2.152  -0.294  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        7.228   1.244   0.745  0.00  0.00    +0.113 A 
ATOM     32  N   LIG    1        6.175   0.422   0.954  0.00  0.00    -0.239 NA
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  16  19
TORSDOF 3