REMARK  Name = BDB047625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.694   0.969   0.565  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1       -1.984   0.481   0.190  0.00  0.00    +0.061 A 
ATOM      3  N   LIG    1       -2.116  -0.897  -0.076  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.389  -1.415   0.439  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.422  -1.525   0.057  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -4.246  -1.175  -1.161  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.956   0.123  -0.954  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.320   1.212  -0.457  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.944   2.010  -0.464  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -6.140   0.247  -1.286  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.217  -3.042   0.132  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.005   1.442   0.000  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.746   2.800   0.287  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.495   3.240   0.711  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.464   2.326   0.843  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1        1.670   0.459   0.277  0.00  0.00    -0.301 N 
ATOM     17  H   LIG    1        1.749   1.342  -0.210  0.00  0.00    +0.150 HD
ATOM     18  C   LIG    1        0.449   0.025   0.739  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1        0.272  -1.077   1.251  0.00  0.00    -0.270 OA
BRANCH  16  20
ATOM     20  C   LIG    1        2.869  -0.355   0.396  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.809   0.073  -0.675  0.00  0.00    +0.145 A 
ATOM     22  O   LIG    1        4.119   1.406  -0.774  0.00  0.00    -0.445 OA
ATOM     23  C   LIG    1        4.983   1.460  -1.825  0.00  0.00    +0.308 A 
ATOM     24  N   LIG    1        5.240   0.307  -2.397  0.00  0.00    -0.224 NA
ATOM     25  C   LIG    1        4.491  -0.586  -1.673  0.00  0.00    +0.157 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     26  C   LIG    1        4.640  -1.170   2.045  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1        3.483  -0.210   1.798  0.00  0.00    +0.027 C 
ENDBRANCH  20  27
ENDBRANCH  16  20
ENDBRANCH   1  18
TORSDOF 4