REMARK  Name = BDB048763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.156   0.485  -1.896  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.288  -0.540  -0.572  0.00  0.00    +0.228 A 
ATOM      3  O   LIG    1        2.537  -1.425   0.158  0.00  0.00    -0.440 OA
ATOM      4  C   LIG    1        1.248  -1.174  -0.222  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        1.274  -0.160  -1.157  0.00  0.00    +0.086 A 
ATOM      6  N   LIG    1        2.577   0.233  -1.373  0.00  0.00    -0.214 NA
BRANCH   2  10
ATOM      7  C   LIG    1        7.540  -0.608  -0.021  0.00  0.00    -0.048 A 
ATOM      8  C   LIG    1        6.724  -1.481   0.707  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        5.336  -1.467   0.532  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        4.734  -0.578  -0.369  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        5.558   0.298  -1.091  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        6.945   0.286  -0.918  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1        9.459   0.349   1.281  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1        9.034  -0.610   0.179  0.00  0.00    +0.032 C 
ENDBRANCH   7  14
ENDBRANCH   2  10
BRANCH   4  15
ATOM     15  C   LIG    1        0.189  -1.993   0.409  0.00  0.00    +0.073 C 
ATOM     16  C   LIG    1       -0.134  -3.223  -0.422  0.00  0.00    +0.012 C 
ENDBRANCH   4  15
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -0.384   1.722  -1.176  0.00  0.00    +0.235 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.154   1.373  -0.022  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.477   1.061  -0.172  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1       -3.135   0.777   1.030  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -4.477   0.430   1.001  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -5.366   0.134   2.165  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1       -6.588  -0.492   1.476  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -6.617   0.010   0.015  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1       -5.176   0.377  -0.205  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1       -4.542   0.658  -1.404  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -3.183   0.998  -1.383  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.604   1.142  -0.261  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -7.370   2.383   0.554  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -7.645   2.532   1.734  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.803   3.377  -0.152  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -6.665   4.092   0.504  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10