REMARK  Name = BDB048269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.134  -0.512  -0.210  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.859   0.864  -0.205  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        1.531   1.229  -0.175  0.00  0.00    +0.068 A 
ATOM      4  N   LIG    1        0.987   2.512  -0.166  0.00  0.00    -0.306 N 
ATOM      5  H   LIG    1        1.484   3.388  -0.184  0.00  0.00    +0.170 HD
ATOM      6  C   LIG    1       -0.416   2.409  -0.138  0.00  0.00    +0.334 A 
ATOM      7  N   LIG    1       -0.710   1.030  -0.130  0.00  0.00    -0.230 N 
ATOM      8  O   LIG    1       -1.196   3.350  -0.122  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1        0.484   0.299  -0.156  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1        0.739  -1.056  -0.174  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        2.081  -1.459  -0.208  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.974   0.502  -0.103  0.00  0.00    +0.218 A 
ATOM     13  N   LIG    1       -3.088   1.310  -0.086  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1       -3.058   2.321  -0.092  0.00  0.00    +0.169 HD
ATOM     15  C   LIG    1       -4.205   0.519  -0.060  0.00  0.00    +0.068 A 
ATOM     16  C   LIG    1       -3.700  -0.775  -0.063  0.00  0.00    +0.091 A 
ATOM     17  C   LIG    1       -4.592  -1.857  -0.040  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1       -5.968  -1.593  -0.015  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -6.444  -0.279  -0.013  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -5.569   0.813  -0.035  0.00  0.00    +0.028 A 
ATOM     21  N   LIG    1       -2.327  -0.768  -0.089  0.00  0.00    -0.212 NA
ENDBRANCH   7  12
BRANCH   1  25
ATOM     22  C   LIG    1        6.847  -0.693   0.474  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        5.488  -0.228   0.354  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        5.185   0.495   0.992  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        4.533  -1.021  -0.250  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        4.779  -2.103  -0.769  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 2