REMARK  Name = BDB011601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.606  -0.820   0.978  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.459  -0.295   0.283  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.221   0.260  -0.540  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.535  -1.641   1.884  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.798  -0.513   0.447  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.746  -0.064  -0.619  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.401   0.600  -1.585  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.024  -0.485  -0.249  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -3.938  -1.042   1.060  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -4.736  -2.261   1.247  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -2.574  -1.045   1.407  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.167  -1.535   2.759  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.226   0.266  -0.615  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -5.174   1.727  -0.150  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -6.501   2.449  -0.395  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -7.265   1.931  -1.615  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -6.331   1.347  -2.666  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -5.530   0.161  -2.122  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  22
ATOM     19  N   LIG    1        4.013   0.099   0.115  0.00  0.00    -0.215 N 
ATOM     20  C   LIG    1        3.163  -0.589   0.976  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1        3.579  -1.350   2.181  0.00  0.00    +0.068 C 
ATOM     22  C   LIG    1        1.892  -0.325   0.488  0.00  0.00    +0.170 A 
ATOM     23  N   LIG    1        1.989   0.534  -0.572  0.00  0.00    -0.124 NA
ATOM     24  N   LIG    1        3.268   0.808  -0.767  0.00  0.00    -0.060 NA
BRANCH  19  29
ATOM     25  C   LIG    1        8.227  -0.167  -0.311  0.00  0.00    +0.122 A 
ATOM     26  C   LIG    1        7.577   1.032  -0.596  0.00  0.00    +0.067 A 
ATOM     27  C   LIG    1        6.184   1.148  -0.445  0.00  0.00    +0.070 A 
ATOM     28 CL   LIG    1        5.536   2.732  -0.717  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1        5.428   0.049  -0.001  0.00  0.00    +0.086 A 
ATOM     30  C   LIG    1        6.092  -1.155   0.282  0.00  0.00    +0.033 A 
ATOM     31  C   LIG    1        7.478  -1.255   0.130  0.00  0.00    +0.048 A 
BRANCH  25  33
ATOM     32  C   LIG    1       10.378   0.665  -0.897  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        9.569  -0.403  -0.417  0.00  0.00    -0.495 OA
ENDBRANCH  25  33
ENDBRANCH  19  29
ENDBRANCH   1  22
TORSDOF 5