REMARK  Name = BDB044053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.889  -0.553   0.034  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -1.865   0.368  -0.101  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -0.519   0.145   0.082  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1        0.120   1.347  -0.188  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -0.870   2.391  -0.559  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -0.690   3.550  -0.863  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1        1.437   1.589  -0.120  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -2.140   1.682  -0.479  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -3.419   2.143  -0.722  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.464   1.231  -0.571  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.204  -0.104  -0.195  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.503   0.649   0.263  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1        2.401  -0.741   0.112  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        3.458  -1.583   0.476  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        4.630  -1.033   0.982  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1        4.762   0.341   1.125  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        3.703   1.179   0.764  0.00  0.00    +0.011 A 
BRANCH  15  18
ATOM     18  O   LIG    1        5.683  -1.817   1.350  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1        5.430  -2.746   1.228  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   7  12
BRANCH   1  23
ATOM     20  N   LIG    1       -3.489  -2.911   0.020  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -3.212  -3.869   0.196  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -4.163  -2.752  -0.715  0.00  0.00    +0.145 HD
ATOM     23  C   LIG    1       -2.598  -1.954   0.424  0.00  0.00    +0.245 C 
ATOM     24  O   LIG    1       -1.599  -2.264   1.058  0.00  0.00    -0.270 OA
ENDBRANCH   1  23
TORSDOF 3