REMARK  Name = BDB045883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.383   0.315   1.384  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        3.748   0.244   1.044  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        4.135   0.374  -0.306  0.00  0.00    +0.117 A 
ATOM      4  N   LIG    1        5.437   0.308  -0.669  0.00  0.00    -0.251 NA
ATOM      5  C   LIG    1        6.375   0.119   0.283  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        6.088  -0.014   1.624  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        3.125   0.583  -1.258  0.00  0.00    +0.163 A 
ATOM      8  C   LIG    1        1.766   0.647  -0.907  0.00  0.00    +0.113 A 
ATOM      9 CL   LIG    1        0.594   0.934  -2.151  0.00  0.00    -0.077 Cl
ATOM     10  C   LIG    1        4.756   0.050   2.007  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        1.375   0.489   0.425  0.00  0.00    +0.127 A 
ENDROOT
BRANCH   1  12
ATOM     12  O   LIG    1        2.001   0.221   2.705  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        1.047   0.442   2.704  0.00  0.00    +0.292 HD
ENDBRANCH   1  12
BRANCH   7  14
ATOM     14  O   LIG    1        3.495   0.729  -2.582  0.00  0.00    -0.503 OA
ATOM     15  H   LIG    1        2.691   0.899  -3.104  0.00  0.00    +0.292 HD
ENDBRANCH   7  14
BRANCH  11  16
ATOM     16  N   LIG    1        0.036   0.535   0.882  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1       -0.682  -0.522   0.656  0.00  0.00    +0.099 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.114  -0.609   1.140  0.00  0.00    +0.131 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.008  -0.921   0.015  0.00  0.00    -0.293 NA
ATOM     20  C   LIG    1       -3.061   0.198  -0.960  0.00  0.00    +0.113 C 
ATOM     21  C   LIG    1       -4.384   0.231  -1.740  0.00  0.00    +0.175 C 
ATOM     22  O   LIG    1       -5.517   0.461  -0.893  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1       -5.345  -0.059   0.432  0.00  0.00    +0.175 C 
ATOM     24  C   LIG    1       -4.373  -1.247   0.491  0.00  0.00    +0.113 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  11  16
TORSDOF 5