REMARK  Name = BDB053001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.296   0.538  -0.402  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        3.168   1.003   0.279  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        1.885   0.463   0.035  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        0.711   1.093   0.755  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1       -0.009   2.137  -0.114  0.00  0.00    +0.007 C 
ATOM      6  C   LIG    1       -1.154   2.835   0.633  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1       -2.574   2.333   0.306  0.00  0.00    +0.122 C 
ATOM      8  C   LIG    1       -2.757   0.836   0.543  0.00  0.00    +0.110 C 
ATOM      9  C   LIG    1       -4.042   0.268  -0.024  0.00  0.00    +0.158 C 
ATOM     10  C   LIG    1       -4.429  -1.143   0.295  0.00  0.00    +0.042 C 
ATOM     11  C   LIG    1       -3.684  -2.187   0.701  0.00  0.00    -0.020 C 
ATOM     12  C   LIG    1       -2.205  -2.265   0.965  0.00  0.00    +0.071 C 
ATOM     13  C   LIG    1       -1.367  -2.405  -0.321  0.00  0.00    +0.177 C 
ATOM     14  O   LIG    1       -0.132  -1.682  -0.116  0.00  0.00    -0.458 OA
ATOM     15  C   LIG    1        0.487  -1.244  -1.237  0.00  0.00    +0.343 C 
ATOM     16  O   LIG    1        0.144  -1.455  -2.391  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -1.063  -3.868  -0.630  0.00  0.00    +0.052 C 
ATOM     18  O   LIG    1       -4.794   0.906  -0.758  0.00  0.00    -0.293 OA
ATOM     19  C   LIG    1        1.762  -0.573  -0.915  0.00  0.00    +0.104 A 
ATOM     20  C   LIG    1        2.893  -0.996  -1.632  0.00  0.00    +0.135 A 
ATOM     21  C   LIG    1        4.149  -0.460  -1.363  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   1  23
ATOM     22  C   LIG    1        5.792   1.996   0.742  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        5.577   0.987  -0.237  0.00  0.00    -0.495 OA
ENDBRANCH   1  23
BRANCH   7  24
ATOM     24  O   LIG    1       -3.475   3.068   1.143  0.00  0.00    -0.391 OA
ATOM     25  H   LIG    1       -3.256   2.895   2.073  0.00  0.00    +0.210 HD
ENDBRANCH   7  24
BRANCH  20  26
ATOM     26  O   LIG    1        2.840  -1.937  -2.629  0.00  0.00    -0.506 OA
ATOM     27  H   LIG    1        1.917  -2.002  -2.954  0.00  0.00    +0.292 HD
ENDBRANCH  20  26
TORSDOF 3