REMARK  Name = BDB057596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.497   1.428  -0.700  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -0.844   1.762  -0.727  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -1.012   2.375  -2.008  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -2.218   3.014  -2.595  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1        0.118   2.360  -2.730  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1        1.012   1.784  -1.908  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1        1.973   1.662  -2.204  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -1.760   1.523   0.377  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -3.098   1.523   0.051  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1       -3.346   1.429  -0.921  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -1.357   1.295   1.516  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.109   1.152   1.014  0.00  0.00    +0.140 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.544  -0.277   0.808  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1       -5.698  -0.574   0.061  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -6.085  -1.899  -0.150  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -5.310  -2.931   0.383  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1       -4.159  -2.650   1.119  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -3.776  -1.327   1.329  0.00  0.00    +0.005 A 
BRANCH  15  19
ATOM     19  O   LIG    1       -7.183  -2.316  -0.852  0.00  0.00    -0.495 OA
ATOM     20  C   LIG    1       -8.024  -1.307  -1.395  0.00  0.00    +0.277 C 
ENDBRANCH  15  19
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  21
ATOM     21  N   LIG    1        1.272   0.861   0.252  0.00  0.00    -0.221 N 
ATOM     22  H   LIG    1        0.836   0.689   1.165  0.00  0.00    +0.176 HD
BRANCH  21  24
ATOM     23  C   LIG    1        3.207   0.131   1.099  0.00  0.00    +0.138 C 
ATOM     24  N   LIG    1        2.600   0.635   0.070  0.00  0.00    -0.189 NA
BRANCH  23  28
ATOM     25  C   LIG    1        7.386  -0.781   1.088  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        6.603  -1.016   2.223  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        5.238  -0.718   2.225  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        4.650  -0.179   1.080  0.00  0.00    -0.005 A 
ATOM     29  C   LIG    1        5.424   0.060  -0.059  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        6.790  -0.242  -0.054  0.00  0.00    +0.046 A 
BRANCH  25  32
ATOM     31  C   LIG    1        9.545  -0.899   0.100  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        8.703  -1.119   1.225  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  23  28
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 8