REMARK  Name = BDB034716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.012   2.360   1.891  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -0.607   1.965   0.683  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.984   1.916   0.618  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.835   1.567  -0.441  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -4.176   1.673  -0.003  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -4.119   2.080   1.345  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -5.250   2.336   2.188  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -5.179   1.451  -0.664  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -2.779   2.238   1.718  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -2.233   2.634   2.919  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -0.835   2.691   2.996  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.389   2.377   2.072  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        1.699   3.157   2.648  0.00  0.00    +0.152 HD
BRANCH  12  18
ATOM     14  C   LIG    1        3.199  -0.272   0.193  0.00  0.00    +0.156 A 
ATOM     15  N   LIG    1        4.323   0.385  -0.207  0.00  0.00    -0.235 NA
ATOM     16  C   LIG    1        4.491   1.666   0.183  0.00  0.00    +0.133 A 
ATOM     17  C   LIG    1        3.578   2.362   0.957  0.00  0.00    +0.091 A 
ATOM     18  C   LIG    1        2.401   1.708   1.344  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        2.216   0.374   0.937  0.00  0.00    +0.072 A 
BRANCH  14  23
ATOM     20  C   LIG    1        3.940  -4.152  -2.582  0.00  0.00    +0.067 C 
ATOM     21  C   LIG    1        3.374  -3.360  -1.466  0.00  0.00    +0.061 A 
ATOM     22  N   LIG    1        3.794  -2.114  -1.250  0.00  0.00    -0.170 NA
ATOM     23  N   LIG    1        3.053  -1.649  -0.201  0.00  0.00    -0.219 N 
ATOM     24  C   LIG    1        2.266  -2.673   0.329  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1        1.488  -2.620   1.592  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1        2.421  -3.755  -0.515  0.00  0.00    +0.048 A 
ENDBRANCH  14  23
BRANCH  17  27
ATOM     27  C   LIG    1        3.855   3.716   1.312  0.00  0.00    +0.103 C 
ATOM     28  N   LIG    1        4.065   4.813   1.629  0.00  0.00    -0.191 NA
ENDBRANCH  17  27
ENDBRANCH  12  18
ENDBRANCH   1  12
BRANCH   4  29
ATOM     29  C   LIG    1       -2.442   1.247  -1.793  0.00  0.00    +0.130 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.555  -0.245  -2.132  0.00  0.00    +0.056 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -1.359  -1.128  -1.717  0.00  0.00    +0.062 C 
ATOM     32  C   LIG    1       -0.079  -0.749  -2.466  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1       -1.688  -2.600  -1.987  0.00  0.00    +0.041 C 
BRANCH  31  34
ATOM     34  O   LIG    1       -1.097  -1.002  -0.321  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1       -1.952  -1.052   0.144  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   4  29
TORSDOF 8