REMARK  Name = BDB054408
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.754  -2.936  -1.407  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1        2.111  -1.794  -0.862  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1        0.698  -1.726  -0.955  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        0.013  -0.612  -0.442  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        0.707   0.438   0.164  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1        2.088   0.366   0.302  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -0.017  -2.781  -1.548  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        0.637  -3.907  -2.046  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.782  -0.734  -0.206  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.022  -3.988  -1.974  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        4.907  -2.110  -2.117  0.00  0.00    -0.312 N 
ATOM     12  H   LIG    1        4.385  -1.362  -2.556  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        4.228  -3.089  -1.425  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        4.753  -4.057  -0.891  0.00  0.00    -0.270 OA
BRANCH  11  16
ATOM     15  C   LIG    1        6.999  -1.454  -1.021  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1        6.350  -2.111  -2.225  0.00  0.00    +0.101 C 
ENDBRANCH  11  16
ENDBRANCH   1  13
BRANCH   5  17
ATOM     17  O   LIG    1        0.091   1.538   0.717  0.00  0.00    -0.455 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.980   2.069   0.027  0.00  0.00    +0.139 A 
ATOM     19  C   LIG    1       -2.236   2.143   0.660  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -3.284   2.724  -0.076  0.00  0.00    +0.078 A 
ATOM     21  C   LIG    1       -4.542   2.806   0.505  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1       -4.794   2.330   1.798  0.00  0.00    +0.164 A 
ATOM     23  C   LIG    1       -3.750   1.750   2.538  0.00  0.00    +0.162 A 
ATOM     24  N   LIG    1       -3.116   3.203  -1.322  0.00  0.00    -0.255 NA
ATOM     25  C   LIG    1       -1.888   3.133  -1.880  0.00  0.00    +0.115 A 
ATOM     26  C   LIG    1       -2.479   1.661   1.966  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -0.792   2.586  -1.251  0.00  0.00    +0.066 A 
BRANCH  23  28
ATOM     28  O   LIG    1       -4.071   1.305   3.795  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -3.038   0.717   4.573  0.00  0.00    +0.277 C 
ENDBRANCH  23  28
BRANCH  22  30
ATOM     30  O   LIG    1       -6.017   2.385   2.420  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.092   2.986   1.711  0.00  0.00    +0.277 C 
ENDBRANCH  22  30
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 6