REMARK  Name = BDB019746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.410  -0.514  -2.511  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -1.437  -0.794  -1.129  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.482  -0.183  -0.289  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        0.462   0.712  -0.804  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.451   1.007  -2.170  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -0.473   0.391  -3.019  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.471   1.389   0.058  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        1.815   0.748   1.226  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        1.583  -0.229   1.342  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.977   2.448  -0.301  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.904   1.234   2.050  0.00  0.00    +0.160 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.220   0.614   1.640  0.00  0.00    +0.060 A 
ATOM     13  N   LIG    1        4.541  -0.585   2.194  0.00  0.00    -0.258 NA
ATOM     14  C   LIG    1        5.699  -1.164   1.809  0.00  0.00    +0.112 A 
ATOM     15  C   LIG    1        6.561  -0.613   0.881  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        6.203   0.604   0.318  0.00  0.00    +0.044 A 
ATOM     17 CL   LIG    1        7.230   1.333  -0.854  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1        5.022   1.233   0.689  0.00  0.00    +0.045 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  20
ATOM     19  C   LIG    1       -2.376  -0.891  -4.664  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -2.334  -1.182  -3.272  0.00  0.00    -0.495 OA
ENDBRANCH   1  20
BRANCH   2  21
ATOM     21  C   LIG    1       -2.452  -1.783  -0.583  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.637  -1.667   0.853  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -2.570  -2.556   1.339  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.569  -0.886   1.437  0.00  0.00    +0.176 C 
ATOM     25  N   LIG    1       -3.940   0.262   0.818  0.00  0.00    -0.316 N 
ATOM     26  H   LIG    1       -3.185   0.754   0.356  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -4.694   1.037   1.779  0.00  0.00    +0.127 C 
ATOM     28  C   LIG    1       -5.056  -0.035   2.812  0.00  0.00    +0.163 C 
ATOM     29  N   LIG    1       -4.113  -1.167   2.586  0.00  0.00    -0.255 NA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 7