REMARK  Name = BDB022302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.284  -1.260  -0.846  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.162  -1.233  -0.491  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.947  -2.390  -0.654  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.294  -2.359  -0.261  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.874  -1.192   0.250  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.142  -0.013   0.347  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1        0.370  -3.562  -1.228  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        1.176  -4.756  -1.422  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -0.942  -3.582  -1.667  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -1.480  -4.540  -2.220  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.783  -0.061  -0.006  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -1.753  -2.371  -1.429  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.051  -0.139  -0.552  0.00  0.00    -0.334 N 
ATOM     14  H   LIG    1       -1.734   0.372   0.275  0.00  0.00    +0.147 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -3.871   0.516  -2.047  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -3.518  -0.003  -0.655  0.00  0.00    +0.135 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.052   0.959   0.416  0.00  0.00    +0.149 A 
ATOM     18  N   LIG    1       -5.389   1.053   0.574  0.00  0.00    -0.238 NA
ATOM     19  C   LIG    1       -5.823   1.893   1.532  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -4.986   2.631   2.334  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -3.641   2.464   2.104  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -3.145   1.640   1.162  0.00  0.00    -0.238 NA
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        2.662   1.185   0.886  0.00  0.00    -0.298 N 
ATOM     24  H   LIG    1        2.027   1.964   0.724  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.006   1.626   0.983  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1        4.318   2.713   1.789  0.00  0.00    +0.128 A 
ATOM     27  C   LIG    1        5.651   3.057   1.839  0.00  0.00    +0.152 A 
ATOM     28 CL   LIG    1        6.241   4.378   2.777  0.00  0.00    -0.060 Cl
ATOM     29  N   LIG    1        6.633   2.423   1.175  0.00  0.00    -0.223 NA
ATOM     30  C   LIG    1        6.237   1.391   0.435  0.00  0.00    +0.225 A 
ATOM     31  N   LIG    1        4.974   0.962   0.313  0.00  0.00    -0.219 NA
BRANCH  26  32
ATOM     32  C   LIG    1        3.323   3.426   2.514  0.00  0.00    +0.106 C 
ATOM     33  N   LIG    1        2.482   4.003   3.069  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6