REMARK  Name = BDB046735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.244   0.655   0.974  0.00  0.00    +0.092 A 
ATOM      2  C   LIG    1       -1.555   1.196   1.034  0.00  0.00    +0.153 A 
ATOM      3  C   LIG    1       -2.682   0.363   1.060  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -2.453  -0.994   0.984  0.00  0.00    +0.073 A 
ATOM      5  N   LIG    1       -3.357  -2.063   0.972  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1       -2.640  -3.277   0.880  0.00  0.00    +0.330 A 
ATOM      7  N   LIG    1       -1.274  -2.920   0.844  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -0.175  -3.836   0.744  0.00  0.00    +0.154 C 
ATOM      9  O   LIG    1       -3.105  -4.404   0.840  0.00  0.00    -0.246 OA
ATOM     10  C   LIG    1       -4.785  -1.941   1.024  0.00  0.00    +0.154 C 
ATOM     11  C   LIG    1       -1.162  -1.525   0.906  0.00  0.00    +0.072 A 
ATOM     12  C   LIG    1       -0.039  -0.726   0.902  0.00  0.00    +0.056 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.879   1.540   0.911  0.00  0.00    -0.213 N 
ATOM     14  H   LIG    1        0.748   2.441   1.375  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  S   LIG    1        1.555   1.813  -0.622  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        2.319   3.038  -0.515  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        0.532   1.648  -1.632  0.00  0.00    -0.150 OA
BRANCH  15  23
ATOM     18  C   LIG    1        5.533  -2.756  -1.099  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        4.562  -1.613  -0.962  0.00  0.00    -0.047 A 
ATOM     20  C   LIG    1        4.763  -0.591  -0.010  0.00  0.00    -0.046 A 
ATOM     21  C   LIG    1        5.953  -0.599   0.911  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.835   0.458   0.079  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1        2.722   0.484  -0.767  0.00  0.00    +0.109 A 
ATOM     24  C   LIG    1        2.526  -0.515  -1.720  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1        3.444  -1.560  -1.812  0.00  0.00    +0.005 A 
ENDBRANCH  15  23
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   2  26
ATOM     26  O   LIG    1       -1.661   2.571   1.150  0.00  0.00    -0.454 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.635   3.190   0.402  0.00  0.00    +0.129 A 
ATOM     28  C   LIG    1       -2.735   3.019  -0.980  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -3.724   3.700  -1.691  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.598   4.559  -1.023  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.480   4.745   0.354  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.492   4.067   1.068  0.00  0.00    +0.046 A 
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 5