REMARK  Name = BDB018900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.635   2.092   2.112  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -3.341   1.333   0.921  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -2.357   1.204   0.743  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.109   0.236   0.618  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.745  -0.443  -0.532  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.629  -0.087  -1.402  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -1.345  -0.743  -0.966  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.221  -2.135  -0.875  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -0.012  -2.720  -0.502  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.083  -1.917  -0.179  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        1.001  -0.519  -0.264  0.00  0.00    +0.002 A 
ATOM     12  O   LIG    1       -2.242  -2.989  -1.200  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1       -3.357  -2.866  -0.300  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1       -0.225   0.049  -0.659  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1       -4.318  -1.768  -0.758  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1       -5.057  -0.108   1.320  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.139   0.352   0.085  0.00  0.00    +0.081 A 
ATOM     18  C   LIG    1        3.405   0.289  -0.541  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        4.388   1.167  -0.054  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        5.654   1.124  -0.643  0.00  0.00    +0.119 A 
ATOM     21  N   LIG    1        6.001   0.306  -1.661  0.00  0.00    -0.263 NA
ATOM     22  C   LIG    1        5.040  -0.513  -2.129  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        4.083   2.055   0.986  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        2.802   2.065   1.512  0.00  0.00    +0.117 A 
ATOM     25  C   LIG    1        3.754  -0.557  -1.618  0.00  0.00    +0.030 A 
ATOM     26  N   LIG    1        1.846   1.237   1.077  0.00  0.00    -0.232 NA
BRANCH  24  27
ATOM     27  N   LIG    1        2.471   2.949   2.542  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        2.640   3.906   2.250  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        3.045   2.760   3.357  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  11  17
TORSDOF 2