REMARK  Name = BDB000744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.244   0.169  -0.522  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1        1.996   0.022   0.044  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        1.530  -0.191   1.454  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        0.087  -0.764   1.565  0.00  0.00    +0.042 C 
ATOM      5  C   LIG    1       -0.840  -0.318   0.466  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -2.263  -0.293   0.401  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -2.614   0.122  -0.893  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.944   0.256  -1.306  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -4.946  -0.046  -0.379  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.628  -0.468   0.910  0.00  0.00    +0.001 A 
ATOM     11  N   LIG    1       -1.442   0.333  -1.592  0.00  0.00    -0.353 N 
ATOM     12  H   LIG    1       -1.366   0.636  -2.553  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1       -3.294  -0.598   1.312  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -0.393   0.095  -0.769  0.00  0.00    +0.071 A 
ATOM     15  C   LIG    1        1.106   0.206  -1.037  0.00  0.00    +0.112 A 
ATOM     16  N   LIG    1        1.708   0.479  -2.188  0.00  0.00    -0.172 NA
ATOM     17  N   LIG    1        3.015   0.429  -1.854  0.00  0.00    -0.278 N 
ATOM     18  H   LIG    1        3.709   0.615  -2.571  0.00  0.00    +0.189 HD
ENDROOT
BRANCH   1  19
ATOM     19  C   LIG    1        4.611   0.108   0.028  0.00  0.00    +0.210 C 
BRANCH  19  20
ATOM     20  O   LIG    1        5.246   1.326  -0.326  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        4.759   2.034   0.133  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 2