REMARK  Name = BDB065428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.288   0.667   0.095  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1        1.856   0.580   0.932  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1  11
ATOM      3  C   LIG    1        5.365   0.192  -1.234  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        4.038   0.304  -0.809  0.00  0.00    +0.036 A 
ATOM      5  C   LIG    1        3.243   1.435  -1.144  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        3.794   2.452  -1.932  0.00  0.00    +0.076 A 
ATOM      7  N   LIG    1        3.104   3.532  -2.307  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.833   3.604  -1.901  0.00  0.00    +0.223 A 
ATOM      9  N   LIG    1        1.194   2.706  -1.146  0.00  0.00    -0.220 NA
ATOM     10  C   LIG    1        5.114   2.330  -2.339  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.901   1.630  -0.757  0.00  0.00    +0.134 A 
ATOM     12  C   LIG    1        5.901   1.222  -1.998  0.00  0.00    +0.025 A 
BRANCH   3  14
ATOM     13  C   LIG    1        7.366  -1.301  -1.201  0.00  0.00    +0.241 C 
ATOM     14  N   LIG    1        6.076  -0.965  -0.855  0.00  0.00    -0.282 N 
ATOM     15  H   LIG    1        5.562  -1.647  -0.315  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        8.123  -0.690  -1.944  0.00  0.00    -0.271 OA
BRANCH  13  18
ATOM     17  C   LIG    1        7.491  -3.078   0.573  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1        7.830  -2.597  -0.631  0.00  0.00    +0.060 C 
ENDBRANCH  13  18
ENDBRANCH   3  14
ENDBRANCH   1  11
BRANCH   1  19
ATOM     19  C   LIG    1       -0.086   0.506   0.383  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1       -0.465  -0.123   1.575  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -1.814  -0.363   1.864  0.00  0.00    +0.084 A 
ATOM     22 CL   LIG    1       -2.191  -1.131   3.369  0.00  0.00    -0.080 Cl
ATOM     23  C   LIG    1       -2.821  -0.004   0.957  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1       -2.445   0.588  -0.249  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -1.093   0.825  -0.534  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -4.111  -0.273   1.328  0.00  0.00    -0.486 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -5.152   0.042   0.404  0.00  0.00    +0.264 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.486  -0.370   0.984  0.00  0.00    -0.008 A 
ATOM     29  C   LIG    1       -7.625   0.415   0.755  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1       -8.860   0.016   1.259  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1       -9.938   0.779   1.036  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -8.994  -1.161   1.984  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1       -7.873  -1.958   2.208  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1       -6.628  -1.567   1.706  0.00  0.00    +0.007 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   1  19
TORSDOF 7