REMARK  Name = BDB022200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.497  -1.163   0.206  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.081  -0.968   0.620  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.312  -1.249   1.942  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.646  -1.026   2.317  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.588  -0.553   1.397  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.232  -0.310   0.073  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.639  -1.775   2.865  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -0.242  -2.089   4.228  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -1.942  -2.049   2.486  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -2.794  -2.542   3.225  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.896  -0.521  -0.296  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.333  -1.700   1.105  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.852  -0.765  -1.085  0.00  0.00    -0.334 N 
ATOM     14  H   LIG    1       -1.452   0.155  -1.288  0.00  0.00    +0.147 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -3.111  -0.839  -3.171  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -3.219  -0.799  -1.647  0.00  0.00    +0.135 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.032   0.424  -1.223  0.00  0.00    +0.149 A 
ATOM     18  N   LIG    1       -5.300   0.223  -0.807  0.00  0.00    -0.238 NA
ATOM     19  C   LIG    1       -5.986   1.317  -0.426  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -5.465   2.589  -0.453  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -4.170   2.692  -0.901  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -3.432   1.637  -1.294  0.00  0.00    -0.238 NA
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        3.133   0.184  -0.890  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        2.897  -0.114  -1.835  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.326   0.931  -0.761  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        5.380   0.794  -1.685  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        6.539   1.528  -1.470  0.00  0.00    +0.148 A 
ATOM     28 CL   LIG    1        7.906   1.461  -2.517  0.00  0.00    -0.061 Cl
ATOM     29  N   LIG    1        6.729   2.370  -0.429  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1        5.712   2.489   0.443  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        4.517   1.799   0.323  0.00  0.00    +0.044 A 
BRANCH  26  32
ATOM     32  C   LIG    1        5.265  -0.075  -2.812  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1        5.114  -0.780  -3.721  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6