REMARK  Name = BDB053754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.208   1.256   0.020  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        0.356   2.155   1.101  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1       -0.883   2.734   1.368  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -0.979   3.751   2.333  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        0.181   4.085   3.025  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        1.356   3.425   2.720  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -1.802   2.171   0.483  0.00  0.00    -0.278 N 
ATOM      8  N   LIG    1        1.488   2.471   1.781  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1       -1.137   1.250  -0.332  0.00  0.00    +0.221 A 
ENDROOT
BRANCH   1  16
ATOM     10  C   LIG    1        3.964  -1.869   0.415  0.00  0.00    +0.071 C 
ATOM     11  N   LIG    1        3.306  -2.755   1.406  0.00  0.00    -0.310 NA
ATOM     12  H   LIG    1        3.821  -2.688   2.284  0.00  0.00    +0.122 HD
ATOM     13  C   LIG    1        1.895  -2.408   1.631  0.00  0.00    +0.100 C 
ATOM     14  C   LIG    1        1.547  -0.929   1.405  0.00  0.00    +0.123 C 
ATOM     15  N   LIG    1        1.911  -0.485   0.060  0.00  0.00    -0.295 N 
ATOM     16  C   LIG    1        1.273   0.529  -0.647  0.00  0.00    +0.254 C 
ATOM     17  O   LIG    1        1.587   0.817  -1.802  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        2.984  -1.230  -0.600  0.00  0.00    +0.126 C 
BRANCH  10  20
ATOM     19  C   LIG    1        5.952  -1.873  -1.203  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        5.073  -2.689  -0.265  0.00  0.00    +0.017 C 
ENDBRANCH  10  20
ENDBRANCH   1  16
BRANCH   7  21
ATOM     21  C   LIG    1       -3.205   2.452   0.441  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1       -3.883   2.487  -0.785  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1       -5.254   2.753  -0.824  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.957   2.977   0.358  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.293   2.933   1.581  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.921   2.670   1.626  0.00  0.00    +0.026 A 
ENDBRANCH   7  21
BRANCH   9  27
ATOM     27  O   LIG    1       -1.834   0.520  -1.220  0.00  0.00    -0.438 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -1.499  -0.796  -1.446  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1       -0.908  -1.142  -2.672  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -0.674  -0.134  -3.762  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -0.569  -2.482  -2.903  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -0.821  -3.455  -1.938  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -1.450  -3.109  -0.744  0.00  0.00    +0.007 A 
ATOM     34  C   LIG    1       -1.821  -1.782  -0.492  0.00  0.00    -0.008 A 
ATOM     35  C   LIG    1       -2.554  -1.449   0.776  0.00  0.00    +0.047 C 
ENDBRANCH  27  28
ENDBRANCH   9  27
TORSDOF 5