REMARK  Name = BDB019757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.761  -0.828   1.252  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -2.619  -1.040  -0.133  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -1.332  -1.185  -0.682  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -0.195  -1.129   0.130  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.345  -0.939   1.506  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -1.621  -0.781   2.061  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.141  -1.299  -0.506  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        2.201  -0.713   0.137  0.00  0.00    -0.303 N 
ATOM      9  H   LIG    1        2.078  -0.093   0.927  0.00  0.00    +0.150 HD
ATOM     10  O   LIG    1        1.251  -1.918  -1.559  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.562  -0.773  -0.370  0.00  0.00    +0.125 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.333   0.465   0.084  0.00  0.00    +0.062 A 
ATOM     13  N   LIG    1        3.946   1.063   1.249  0.00  0.00    -0.258 NA
ATOM     14  C   LIG    1        4.642   2.150   1.643  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        5.704   2.688   0.935  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        6.083   2.086  -0.265  0.00  0.00    -0.047 A 
ATOM     17  C   LIG    1        7.246   2.609  -1.052  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        5.390   0.949  -0.688  0.00  0.00    +0.028 A 
ENDBRANCH  11  12
BRANCH  11  19
ATOM     19  C   LIG    1        4.172  -2.085   0.072  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1        5.584  -2.270   0.589  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1        4.420  -2.397   1.532  0.00  0.00    +0.006 C 
ENDBRANCH  11  19
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  O   LIG    1       -4.043  -0.650   1.696  0.00  0.00    -0.492 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -4.285   0.697   3.692  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1       -4.311  -0.699   3.097  0.00  0.00    +0.225 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   2  25
ATOM     25  C   LIG    1       -3.821  -1.082  -1.052  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.216   0.274  -1.389  0.00  0.00    -0.313 N 
ATOM     27  H   LIG    1       -4.319   0.846  -0.559  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -5.207   0.482  -2.281  0.00  0.00    +0.176 C 
ATOM     29  N   LIG    1       -5.619   1.776  -2.348  0.00  0.00    -0.316 N 
ATOM     30  H   LIG    1       -4.851   2.434  -2.296  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1       -6.443   1.891  -3.533  0.00  0.00    +0.127 C 
ATOM     32  C   LIG    1       -6.771   0.423  -3.821  0.00  0.00    +0.163 C 
ATOM     33  N   LIG    1       -5.761  -0.381  -3.079  0.00  0.00    -0.255 NA
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 9