REMARK  Name = BDB012317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.675  -1.191   0.775  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.994  -1.392   0.355  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        2.163  -2.645  -0.170  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.959  -3.204  -0.102  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        0.002  -2.358   0.470  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        3.095  -0.472   0.420  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        2.899   0.770   0.938  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        3.951   1.614   0.985  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        5.214   1.288   0.538  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.407   0.014   0.008  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        4.338  -0.883  -0.055  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.727  -0.428  -0.497  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.983  -1.520  -0.970  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        7.671   0.523  -0.387  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        8.475   0.097  -0.754  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.289  -0.035   1.331  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.072   0.083   1.748  0.00  0.00    +0.266 C 
BRANCH  17  24
ATOM     18  C   LIG    1       -6.340  -1.005   0.093  0.00  0.00    +0.173 C 
ATOM     19  N   LIG    1       -5.486  -0.161  -0.708  0.00  0.00    -0.267 N 
ATOM     20  C   LIG    1       -4.185   0.183  -0.429  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.795   1.005  -1.482  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.498   1.542  -1.495  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -1.627   1.230  -0.443  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -2.022   0.387   0.607  0.00  0.00    -0.008 A 
ATOM     25  C   LIG    1       -4.930   1.074  -2.320  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1       -3.326  -0.140   0.632  0.00  0.00    +0.035 A 
ATOM     27  N   LIG    1       -5.961   0.365  -1.854  0.00  0.00    -0.179 NA
ENDBRANCH  17  24
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6