REMARK  Name = BDB044086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.538   0.400   0.640  0.00  0.00    +0.185 A 
ATOM      2  C   LIG    1       -2.453  -0.251   0.040  0.00  0.00    +0.096 A 
ATOM      3  C   LIG    1       -2.717  -1.319  -0.825  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.574  -1.986  -1.487  0.00  0.00    +0.201 A 
ATOM      5  C   LIG    1       -0.191  -1.530  -1.194  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1       -0.002  -0.446  -0.310  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1        1.312   0.015  -0.063  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1        1.595   1.195   0.755  0.00  0.00    +0.013 C 
ATOM      9  C   LIG    1        2.866   1.473   1.058  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1        4.029   0.638   0.581  0.00  0.00    +0.124 C 
ATOM     11  O   LIG    1        3.707  -0.304  -0.460  0.00  0.00    -0.481 OA
ATOM     12  C   LIG    1        5.103   1.559  -0.010  0.00  0.00    +0.060 C 
ATOM     13  C   LIG    1        4.618  -0.154   1.754  0.00  0.00    +0.060 C 
ATOM     14  C   LIG    1        2.398  -0.660  -0.643  0.00  0.00    +0.134 A 
ATOM     15  C   LIG    1        2.196  -1.745  -1.497  0.00  0.00    +0.092 A 
ATOM     16  C   LIG    1        0.906  -2.175  -1.776  0.00  0.00    +0.133 A 
ATOM     17  O   LIG    1       -1.757  -2.918  -2.267  0.00  0.00    -0.286 OA
ATOM     18  C   LIG    1       -4.027  -1.769  -1.045  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1       -5.092  -1.146  -0.394  0.00  0.00    +0.050 A 
ATOM     20  N   LIG    1       -1.136   0.212   0.216  0.00  0.00    -0.350 N 
ATOM     21  H   LIG    1       -1.002   0.725   1.082  0.00  0.00    +0.166 HD
ATOM     22  C   LIG    1       -4.840  -0.073   0.452  0.00  0.00    +0.161 A 
ENDROOT
BRANCH   1  24
ATOM     23  C   LIG    1       -3.333   2.684   0.698  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -3.334   1.478   1.470  0.00  0.00    -0.490 OA
ENDBRANCH   1  24
BRANCH  16  25
ATOM     25  O   LIG    1        0.785  -3.238  -2.631  0.00  0.00    -0.506 OA
ATOM     26  H   LIG    1       -0.175  -3.422  -2.747  0.00  0.00    +0.292 HD
ENDBRANCH  16  25
BRANCH  22  27
ATOM     27  O   LIG    1       -5.895   0.507   1.097  0.00  0.00    -0.503 OA
ATOM     28  H   LIG    1       -5.511   1.130   1.742  0.00  0.00    +0.292 HD
ENDBRANCH  22  27
TORSDOF 3