REMARK  Name = BDB000757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.436  -0.145   0.345  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1        1.574   1.188   0.223  0.00  0.00    -0.223 NA
ATOM      3  C   LIG    1        0.440   1.817  -0.154  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -0.752   1.155  -0.390  0.00  0.00    +0.196 A 
ATOM      5  O   LIG    1       -1.720   2.048  -0.746  0.00  0.00    -0.432 OA
ATOM      6  C   LIG    1       -1.145   3.282  -0.744  0.00  0.00    +0.230 A 
ATOM      7  N   LIG    1       -1.825   4.401  -1.055  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -1.067   5.518  -0.989  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        0.278   5.567  -0.643  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        0.942   4.382  -0.328  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -0.856  -0.230  -0.248  0.00  0.00    +0.169 A 
ATOM     12  C   LIG    1        0.197   3.193  -0.382  0.00  0.00    +0.066 A 
ATOM     13  N   LIG    1        0.297  -0.850   0.132  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1        3.750  -3.039   1.190  0.00  0.00    +0.118 A 
ATOM     15  C   LIG    1        2.616  -2.323   0.808  0.00  0.00    +0.057 A 
ATOM     16  C   LIG    1        2.634  -0.915   0.749  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        3.843  -0.272   1.091  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        4.976  -0.998   1.475  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        4.928  -2.386   1.524  0.00  0.00    +0.045 A 
BRANCH  14  20
ATOM     20  O   LIG    1        3.743  -4.402   1.247  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1        2.867  -4.719   0.971  0.00  0.00    +0.292 HD
ENDBRANCH  14  20
ENDBRANCH   1  16
BRANCH  11  22
ATOM     22  N   LIG    1       -1.989  -0.987  -0.468  0.00  0.00    -0.308 N 
ATOM     23  C   LIG    1       -2.053  -2.355   0.060  0.00  0.00    +0.134 C 
ATOM     24  C   LIG    1       -3.442  -2.616   0.666  0.00  0.00    +0.178 C 
ATOM     25  O   LIG    1       -4.528  -2.443  -0.256  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1       -4.247  -1.497  -1.297  0.00  0.00    +0.178 C 
ATOM     27  C   LIG    1       -3.260  -0.390  -0.890  0.00  0.00    +0.134 C 
ENDBRANCH  11  22
TORSDOF 3