REMARK  Name = BDB054402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.123  -0.065  -0.903  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1        1.808  -0.298  -0.421  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1        0.732  -0.121  -1.328  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -0.590  -0.323  -0.899  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.865  -0.702   0.416  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1        0.179  -0.927   1.305  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        0.991   0.245  -2.660  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        2.294   0.432  -3.118  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.498  -0.725   0.893  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        3.361   0.275  -2.242  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        4.304   0.667   1.073  0.00  0.00    -0.311 N 
ATOM     12  H   LIG    1        3.541   1.323   1.187  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        4.323  -0.150  -0.035  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        5.267  -0.862  -0.355  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1        5.435   0.759   1.976  0.00  0.00    +0.107 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.521   1.683   1.430  0.00  0.00    +0.047 C 
BRANCH  16  17
ATOM     17  C   LIG    1        7.716   1.763   2.374  0.00  0.00    +0.161 C 
BRANCH  17  19
ATOM     18  C   LIG    1        7.277   3.669   3.725  0.00  0.00    +0.193 C 
ATOM     19  O   LIG    1        7.344   2.250   3.663  0.00  0.00    -0.383 OA
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   5  20
ATOM     20  O   LIG    1       -2.137  -0.948   0.884  0.00  0.00    -0.455 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.130  -0.076   0.484  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1       -4.257  -0.585  -0.190  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -5.254   0.340  -0.546  0.00  0.00    +0.078 A 
ATOM     24  C   LIG    1       -6.377  -0.117  -1.222  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1       -6.543  -1.466  -1.558  0.00  0.00    +0.164 A 
ATOM     26  C   LIG    1       -5.549  -2.394  -1.206  0.00  0.00    +0.162 A 
ATOM     27  N   LIG    1       -5.163   1.651  -0.256  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1       -4.077   2.090   0.415  0.00  0.00    +0.115 A 
ATOM     29  C   LIG    1       -4.415  -1.949  -0.524  0.00  0.00    +0.063 A 
ATOM     30  C   LIG    1       -3.042   1.273   0.812  0.00  0.00    +0.066 A 
BRANCH  26  31
ATOM     31  O   LIG    1       -5.779  -3.696  -1.569  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -4.788  -4.660  -1.238  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  25  33
ATOM     33  O   LIG    1       -7.630  -1.970  -2.228  0.00  0.00    -0.491 OA
ATOM     34  C   LIG    1       -8.680  -1.070  -2.554  0.00  0.00    +0.277 C 
ENDBRANCH  25  33
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 9