REMARK  Name = BDB056341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.556   0.717  -0.666  0.00  0.00    +0.177 C 
ATOM      2  C   LIG    1       -0.752   0.578   0.632  0.00  0.00    +0.242 C 
ATOM      3  O   LIG    1       -1.239  -0.034   1.593  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.558   1.056   0.619  0.00  0.00    -0.264 N 
ATOM      5  C   LIG    1        1.057   1.957  -0.383  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1        0.232   2.974  -0.941  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        0.787   3.812  -1.927  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        2.115   3.681  -2.337  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        2.925   2.716  -1.758  0.00  0.00    +0.002 A 
ATOM     10  N   LIG    1       -1.070   3.184  -0.447  0.00  0.00    -0.329 N 
ATOM     11  C   LIG    1       -1.600   4.548  -0.486  0.00  0.00    +0.129 C 
ATOM     12  C   LIG    1        2.403   1.866  -0.784  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -2.037   2.153  -0.855  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -3.410  -0.595  -1.689  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1       -2.669  -0.240  -0.594  0.00  0.00    -0.301 N 
ATOM     16  H   LIG    1       -2.798  -0.690   0.307  0.00  0.00    +0.150 HD
ATOM     17  O   LIG    1       -3.244  -0.046  -2.780  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1       -4.526  -1.649  -1.451  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1       -4.149  -2.752  -0.462  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1       -4.068  -3.122  -3.377  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1       -5.000  -2.189  -2.752  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1       -5.097  -1.384  -3.380  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH   4  23
ATOM     23  C   LIG    1        1.429   0.682   1.735  0.00  0.00    +0.149 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.148  -0.660   1.619  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        3.051  -1.073   2.647  0.00  0.00    -0.013 A 
ATOM     26  C   LIG    1        3.710  -2.324   2.522  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        4.604  -2.755   3.517  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        4.862  -1.973   4.641  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.227  -0.749   4.785  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        3.468  -3.135   1.406  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        2.586  -2.732   0.410  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        3.334  -0.306   3.804  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1        1.933  -1.508   0.516  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 5