REMARK  Name = BDB056627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.282   1.272   1.806  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        1.167   0.857   0.835  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.802   0.821  -0.117  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.395   0.956   2.987  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.409   0.916   0.086  0.00  0.00    +0.245 C 
ATOM      6  N   LIG    1       -1.641   2.102   0.161  0.00  0.00    -0.288 N 
ATOM      7  C   LIG    1       -0.751   2.300   1.315  0.00  0.00    +0.162 C 
ATOM      8  C   LIG    1       -1.694   2.829   2.393  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -2.720   3.651   1.602  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -2.453   3.315   0.130  0.00  0.00    +0.109 C 
ATOM     11  O   LIG    1       -3.636   0.927   0.168  0.00  0.00    -0.273 OA
BRANCH   5  12
ATOM     12  C   LIG    1       -1.603  -0.383  -0.190  0.00  0.00    +0.205 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -1.459  -2.788  -0.967  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1       -2.426  -1.613  -0.690  0.00  0.00    -0.003 C 
ATOM     15  C   LIG    1       -3.426  -2.087   0.383  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -3.178  -1.318  -2.001  0.00  0.00    +0.013 C 
ENDBRANCH  12  14
BRANCH  12  17
ATOM     17  O   LIG    1       -0.546  -0.085  -1.118  0.00  0.00    -0.382 OA
ATOM     18  H   LIG    1       -0.972   0.312  -1.901  0.00  0.00    +0.210 HD
ENDBRANCH  12  17
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  C   LIG    1        2.236  -0.057   1.160  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.278  -0.069   0.070  0.00  0.00    -0.025 A 
ATOM     21  C   LIG    1        3.307  -1.029  -0.966  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1        4.327  -0.959  -1.935  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        5.283   0.057  -1.907  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.233   1.016  -0.904  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        6.400   2.280  -0.868  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        4.244   0.958   0.075  0.00  0.00    +0.025 A 
BRANCH  21  27
ATOM     27  C   LIG    1        2.312  -2.161  -1.068  0.00  0.00    +0.113 C 
BRANCH  27  28
ATOM     28  N   LIG    1        2.848  -3.383  -0.486  0.00  0.00    -0.326 NA
ATOM     29  H   LIG    1        3.079  -3.219   0.492  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1        2.128  -4.102  -0.496  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  21  27
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8