REMARK  Name = BDB022237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.550  -1.401   0.210  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.075  -1.294   0.023  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.663  -2.418  -0.398  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.046  -2.290  -0.605  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.702  -1.077  -0.379  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.004   0.035   0.082  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1        0.004  -3.671  -0.579  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        0.756  -4.844  -0.994  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -1.345  -3.824  -0.313  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -1.960  -4.887  -0.401  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.621  -0.091   0.276  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.098  -2.617   0.078  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.265  -0.254   0.513  0.00  0.00    -0.335 N 
ATOM     14  H   LIG    1       -1.835   0.631   0.252  0.00  0.00    +0.147 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -4.361  -0.095  -0.750  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -3.714  -0.068   0.640  0.00  0.00    +0.118 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.082   1.224   1.348  0.00  0.00    +0.083 A 
ATOM     18  N   LIG    1       -3.410   2.363   1.095  0.00  0.00    -0.177 NA
ATOM     19  N   LIG    1       -3.994   3.268   1.898  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -3.645   4.221   1.885  0.00  0.00    +0.188 HD
ATOM     21  C   LIG    1       -5.014   2.757   2.644  0.00  0.00    +0.105 A 
ATOM     22  C   LIG    1       -5.097   1.426   2.314  0.00  0.00    +0.046 A 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        2.611   1.286   0.309  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        2.123   1.836   1.014  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.770   1.882  -0.238  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        4.532   2.809   0.498  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        5.684   3.320  -0.086  0.00  0.00    +0.148 A 
ATOM     28 CL   LIG    1        6.712   4.462   0.696  0.00  0.00    -0.061 Cl
ATOM     29  N   LIG    1        6.129   2.987  -1.319  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1        5.388   2.101  -2.007  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        4.227   1.529  -1.515  0.00  0.00    +0.044 A 
BRANCH  26  32
ATOM     32  C   LIG    1        4.136   3.216   1.808  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1        3.762   3.532   2.860  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6