REMARK  Name = BDB019795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.536   2.012  -0.396  0.00  0.00    -0.305 N 
ATOM      2  H   LIG    1       -1.081   1.196  -0.780  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.786   3.108  -0.035  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1       -1.264   4.207   0.222  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.687   2.915   0.004  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        1.264   1.677   0.295  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        2.651   1.581   0.312  0.00  0.00    +0.059 A 
ATOM      8  N   LIG    1        3.461   2.653   0.079  0.00  0.00    -0.258 NA
ATOM      9  C   LIG    1        2.871   3.841  -0.179  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1        1.503   4.022  -0.224  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  C   LIG    1        3.313   0.256   0.659  0.00  0.00    +0.158 C 
BRANCH  11  12
ATOM     12  N   LIG    1        4.679   0.237   0.174  0.00  0.00    -0.327 N 
ATOM     13  H   LIG    1        5.055   1.172   0.025  0.00  0.00    +0.148 HD
BRANCH  12  14
ATOM     14  C   LIG    1        5.534  -0.782   0.467  0.00  0.00    +0.090 C 
ATOM     15  C   LIG    1        7.007  -0.606   0.226  0.00  0.00    +0.073 C 
ATOM     16  C   LIG    1        7.429  -2.054   0.204  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1        6.420  -2.698   1.135  0.00  0.00    +0.143 C 
ATOM     18  N   LIG    1        5.174  -1.925   0.969  0.00  0.00    -0.273 NA
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  C   LIG    1       -2.983   2.081  -0.519  0.00  0.00    +0.101 C 
ATOM     20  C   LIG    1       -3.398   2.770  -1.823  0.00  0.00    +0.033 C 
BRANCH  19  23
ATOM     21  C   LIG    1       -3.991  -1.555  -1.245  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -3.482  -0.262  -1.409  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1       -3.558   0.684  -0.378  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1       -4.141   0.293   0.836  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1       -4.654  -0.996   1.014  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -4.579  -1.919  -0.032  0.00  0.00    +0.091 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -4.365  -3.680  -2.253  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -3.842  -2.361  -2.342  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
BRANCH  25  29
ATOM     29  O   LIG    1       -5.194  -1.222   2.251  0.00  0.00    -0.495 OA
ATOM     30  C   LIG    1       -5.743  -2.511   2.494  0.00  0.00    +0.277 C 
ENDBRANCH  25  29
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8