REMARK  Name = BDB054334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.404   0.644  -0.961  0.00  0.00    -0.319 N 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.469   1.004  -0.112  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -3.717   0.388  -0.289  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -4.810   0.691   0.534  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -4.672   1.620   1.562  0.00  0.00    +0.120 A 
ATOM      6  C   LIG    1       -3.437   2.239   1.752  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.348   1.935   0.926  0.00  0.00    +0.027 A 
BRANCH   5   8
ATOM      8  O   LIG    1       -5.650   2.008   2.435  0.00  0.00    -0.495 OA
ATOM      9  C   LIG    1       -6.909   1.358   2.317  0.00  0.00    +0.277 C 
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  10
ATOM     10  C   LIG    1       -0.876  -0.714  -0.629  0.00  0.00    +0.225 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -0.234  -0.844   0.758  0.00  0.00    +0.325 C 
ATOM     12  O   LIG    1        0.395   0.023   1.353  0.00  0.00    -0.249 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -0.424  -2.117   1.225  0.00  0.00    -0.464 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -0.843  -1.947   3.604  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1        0.123  -2.390   2.522  0.00  0.00    +0.229 C 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  C   LIG    1       -0.395   1.685  -1.235  0.00  0.00    +0.109 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.205   1.491  -2.632  0.00  0.00    +0.060 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.351   2.467  -2.906  0.00  0.00    +0.230 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.400   2.388  -1.932  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.075   1.198  -1.912  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.191   0.570  -0.671  0.00  0.00    +0.054 A 
ATOM     22  C   LIG    1        3.828  -0.673  -0.554  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1        4.394  -1.271  -1.703  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        5.028  -2.518  -1.583  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        5.098  -3.167  -0.349  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.539  -2.577   0.781  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.309  -0.603  -2.936  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        3.908  -1.337   0.680  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        3.654   0.627  -3.041  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 11