REMARK  Name = BDB047072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.664  -3.365  -2.709  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.697  -2.509  -2.176  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -1.512  -1.367  -1.424  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -2.804  -0.929  -1.149  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1       -3.734  -1.783  -1.721  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -3.036  -2.713  -2.326  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.197  -0.853  -1.060  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.334  -1.107   0.209  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.605  -0.636   0.556  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.357   0.095  -0.364  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1        1.824   0.352  -1.631  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        0.554  -0.116  -1.979  0.00  0.00    +0.013 A 
BRANCH  10  13
ATOM     13  O   LIG    1        3.606   0.610  -0.157  0.00  0.00    -0.492 OA
BRANCH  13  14
ATOM     14  C   LIG    1        4.184   0.413   1.132  0.00  0.00    +0.232 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.521   1.090   1.147  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1        6.606   0.627   2.085  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1        6.742   0.390   0.605  0.00  0.00    +0.007 C 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   4  18
ATOM     18  C   LIG    1       -3.204   0.252  -0.385  0.00  0.00    +0.092 A 
ATOM     19  N   LIG    1       -2.228   1.041   0.130  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1       -2.596   2.134   0.829  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1       -3.909   2.493   1.052  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -4.904   1.674   0.522  0.00  0.00    +0.062 A 
ATOM     23  C   LIG    1       -4.552   0.538  -0.207  0.00  0.00    +0.045 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -6.342   1.973   0.707  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1       -7.272   1.315   0.281  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -6.551   3.092   1.422  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -7.529   3.162   1.461  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   4  18
TORSDOF 7