REMARK  Name = BDB009910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.488  -0.031  -0.158  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1       -0.044  -0.491  -0.312  0.00  0.00    +0.067 C 
ATOM      3  C   LIG    1        0.087  -1.049  -1.757  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1        0.987   0.696  -0.102  0.00  0.00    +0.048 C 
ATOM      5  C   LIG    1        0.488   1.965  -0.802  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -0.830   2.379  -0.168  0.00  0.00    +0.086 C 
ATOM      7  C   LIG    1       -1.886   1.296  -0.341  0.00  0.00    +0.220 C 
ATOM      8  O   LIG    1       -3.059   1.618  -0.531  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.270  -1.557   0.776  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -0.041  -1.283   2.126  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        0.244  -2.203   3.139  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        0.850  -3.412   2.822  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        1.205  -4.546   4.065  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        1.174  -3.707   1.502  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.886  -2.788   0.486  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   4  16
ATOM     16  C   LIG    1        2.449   0.386  -0.437  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        3.289  -0.132   0.566  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        4.624  -0.435   0.294  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        5.623  -1.079   1.538  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        5.151  -0.222  -0.975  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.337   0.298  -1.979  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.998   0.600  -1.712  0.00  0.00    +0.004 A 
ENDBRANCH   4  16
BRANCH   1  24
ATOM     23  C   LIG    1       -3.509  -0.949   1.019  0.00  0.00    +0.028 C 
ATOM     24  C   LIG    1       -2.555  -1.076  -0.176  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1       -3.346  -1.138  -1.490  0.00  0.00    +0.028 C 
ENDBRANCH   1  24
BRANCH   6  26
ATOM     26  C   LIG    1       -1.305   3.711  -0.772  0.00  0.00    +0.133 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.420   4.379  -0.009  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1       -3.256   5.128  -0.491  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -2.376   4.182   1.321  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1       -3.165   4.667   1.645  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   6  26
TORSDOF 6