REMARK  Name = BDB016040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.244  -1.387   0.357  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.759  -2.695   0.394  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -0.591  -2.826   0.131  0.00  0.00    +0.125 A 
ATOM      4  N   LIG    1       -1.418  -1.796  -0.137  0.00  0.00    -0.235 NA
ATOM      5  C   LIG    1       -0.865  -0.571  -0.123  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1        0.438  -0.334   0.114  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        1.577  -3.853   0.699  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        1.501  -5.069   0.051  0.00  0.00    +0.116 A 
ATOM      9  N   LIG    1        2.440  -5.871   0.635  0.00  0.00    -0.274 N 
ATOM     10  C   LIG    1        2.740  -7.243   0.305  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        3.130  -5.260   1.614  0.00  0.00    -0.179 NA
ATOM     12  C   LIG    1        2.594  -4.038   1.663  0.00  0.00    +0.143 A 
ENDBRANCH   2   7
BRANCH   5  13
ATOM     13  C   LIG    1       -1.741   0.590  -0.383  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.083   0.423  -0.785  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.930   1.516  -1.036  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -3.422   2.810  -0.876  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -2.100   3.006  -0.479  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -1.272   1.908  -0.237  0.00  0.00    +0.011 A 
BRANCH  15  19
ATOM     19  C   LIG    1       -5.308   1.292  -1.443  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -6.067   2.154  -2.209  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -7.285   1.558  -2.368  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -8.416   2.076  -3.097  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -7.379   0.361  -1.764  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -6.177   0.201  -1.203  0.00  0.00    +0.142 A 
ENDBRANCH  15  19
ENDBRANCH   5  13
BRANCH   1  25
ATOM     25  N   LIG    1        2.616  -1.121   0.609  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        3.170  -1.768   0.050  0.00  0.00    +0.148 HD
BRANCH  25  29
ATOM     27  C   LIG    1        4.233   1.558   1.835  0.00  0.00    +0.076 C 
ATOM     28  C   LIG    1        4.608   0.263   1.076  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        3.151   0.209   0.564  0.00  0.00    +0.075 C 
ATOM     30  C   LIG    1        2.764   1.077   1.782  0.00  0.00    +0.044 C 
BRANCH  27  33
ATOM     31  C   LIG    1        4.561   5.187   0.675  0.00  0.00    +0.109 C 
ATOM     32  C   LIG    1        4.189   4.043   1.579  0.00  0.00    +0.210 C 
ATOM     33  N   LIG    1        4.500   2.799   1.073  0.00  0.00    -0.313 N 
ATOM     34  H   LIG    1        4.981   2.758   0.183  0.00  0.00    +0.149 HD
ATOM     35  O   LIG    1        3.670   4.222   2.676  0.00  0.00    -0.276 OA
ENDBRANCH  27  33
ENDBRANCH  25  29
ENDBRANCH   1  25
TORSDOF 6