REMARK  Name = BDB008738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.773  -1.435  -0.674  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1       -1.141  -0.205  -0.291  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1       -0.221   0.777  -0.348  0.00  0.00    +0.116 A 
ATOM      4  C   LIG    1        1.086   0.588  -0.757  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.486  -0.697  -1.124  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.522  -1.716  -1.097  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.846  -0.980  -1.565  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1        3.985  -0.761  -0.781  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        5.193  -1.063  -1.398  0.00  0.00    +0.231 A 
ATOM     10  O   LIG    1        6.225  -0.802  -0.552  0.00  0.00    -0.442 OA
ATOM     11  C   LIG    1        5.696  -0.352   0.615  0.00  0.00    +0.108 A 
ATOM     12  C   LIG    1        6.670  -0.022   1.680  0.00  0.00    +0.086 C 
ATOM     13  N   LIG    1        5.382  -1.544  -2.633  0.00  0.00    -0.201 NA
ATOM     14  C   LIG    1        4.226  -1.737  -3.271  0.00  0.00    +0.225 A 
ATOM     15  C   LIG    1        4.313  -0.320   0.546  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.390   0.077   1.641  0.00  0.00    +0.048 C 
ATOM     17  N   LIG    1        2.985  -1.497  -2.812  0.00  0.00    -0.235 NA
ENDBRANCH   5   7
BRANCH   1  19
ATOM     18  C   LIG    1       -3.006  -2.418  -0.250  0.00  0.00    +0.235 C 
ATOM     19  N   LIG    1       -1.689  -2.494  -0.672  0.00  0.00    -0.269 N 
ATOM     20  H   LIG    1       -1.355  -3.384  -1.014  0.00  0.00    +0.156 HD
ATOM     21  O   LIG    1       -3.571  -1.442   0.236  0.00  0.00    -0.274 OA
BRANCH  18  22
ATOM     22  C   LIG    1       -3.750  -3.766  -0.420  0.00  0.00    +0.137 C 
ATOM     23  C   LIG    1       -3.401  -4.679   0.752  0.00  0.00    +0.034 C 
BRANCH  22  25
ATOM     24  C   LIG    1       -5.663  -3.017  -1.720  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1       -5.215  -3.567  -0.445  0.00  0.00    -0.309 NA
ATOM     26  H   LIG    1       -5.432  -2.877   0.285  0.00  0.00    +0.122 HD
ENDBRANCH  22  25
ENDBRANCH  18  22
ENDBRANCH   1  19
BRANCH   3  27
ATOM     27  C   LIG    1       -0.687   2.063   0.060  0.00  0.00    -0.041 C 
ATOM     28  C   LIG    1       -1.083   3.141   0.413  0.00  0.00    -0.060 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.569   4.414   0.846  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1       -0.934   5.589   0.431  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1       -1.411   6.830   0.859  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -2.521   6.897   1.701  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.157   5.725   2.114  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -2.682   4.484   1.687  0.00  0.00    +0.017 A 
ENDBRANCH  28  29
ENDBRANCH   3  27
TORSDOF 6