REMARK  Name = BDB023906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.047   2.659  -0.768  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.455   1.256  -1.146  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.557   0.235  -0.858  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.151   0.506  -0.486  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.539  -0.697   0.137  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.706  -0.875   0.797  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.825  -2.131   1.261  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -0.307  -2.752   0.876  0.00  0.00    -0.270 N 
ATOM      9  C   LIG    1       -0.496  -4.140   1.220  0.00  0.00    +0.172 C 
ATOM     10  C   LIG    1       -1.149  -1.931   0.195  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -2.492  -2.235  -0.355  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -2.878  -1.122  -1.352  0.00  0.00    +0.114 C 
ATOM     13  O   LIG    1       -4.548   1.055  -1.675  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  14
ATOM     14  C   LIG    1        1.743   0.113   1.041  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.386   0.748  -0.049  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        3.353   1.720   0.228  0.00  0.00    +0.066 A 
ATOM     17  N   LIG    1        3.823   2.189  -0.980  0.00  0.00    -0.359 N 
ATOM     18  H   LIG    1        4.538   2.900  -1.072  0.00  0.00    +0.165 HD
ATOM     19  C   LIG    1        3.207   1.538  -2.013  0.00  0.00    +0.083 A 
ATOM     20  C   LIG    1        3.710   2.072   1.536  0.00  0.00    +0.065 A 
ATOM     21 CL   LIG    1        4.902   3.273   1.839  0.00  0.00    -0.081 Cl
ATOM     22  C   LIG    1        3.081   1.419   2.598  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        2.324   0.634  -1.471  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        2.111   0.449   2.355  0.00  0.00    +0.012 A 
ENDBRANCH   6  14
TORSDOF 1