REMARK  Name = BDB022371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.041   0.586   0.975  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -0.324   0.291   0.840  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -1.175   1.011  -0.030  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.619   0.655  -0.173  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -3.372   1.488  -0.903  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -2.853   2.669  -1.621  0.00  0.00    +0.253 A 
ATOM      7  N   LIG    1       -1.491   2.900  -1.556  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -0.953   4.035  -2.289  0.00  0.00    +0.152 C 
ATOM      9  O   LIG    1       -3.651   3.361  -2.252  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -0.637   2.095  -0.747  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        0.732   2.381  -0.627  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.558   1.629   0.214  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        1.827  -0.215   1.827  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        1.289  -0.602   2.602  0.00  0.00    +0.152 HD
BRANCH  13  20
ATOM     15  C   LIG    1        5.328  -0.710   0.706  0.00  0.00    +0.129 A 
ATOM     16  N   LIG    1        5.999  -0.993   1.849  0.00  0.00    -0.229 NA
ATOM     17  C   LIG    1        5.259  -1.026   2.978  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        6.211  -1.393   4.366  0.00  0.00    -0.061 Cl
ATOM     19  C   LIG    1        3.889  -0.793   3.035  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1        3.211  -0.505   1.835  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        3.962  -0.465   0.654  0.00  0.00    +0.057 A 
BRANCH  15  25
ATOM     22  C   LIG    1        8.405  -1.026  -1.468  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        7.487  -0.912  -0.367  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        7.780  -1.178   0.570  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        6.142  -0.671  -0.551  0.00  0.00    +0.262 C 
ATOM     26  O   LIG    1        5.622  -0.444  -1.636  0.00  0.00    -0.269 OA
ENDBRANCH  15  25
BRANCH  19  27
ATOM     27  C   LIG    1        3.193  -0.845   4.282  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1        2.581  -0.895   5.266  0.00  0.00    -0.191 NA
ENDBRANCH  19  27
ENDBRANCH  13  20
ENDBRANCH   1  13
BRANCH   4  29
ATOM     29  N   LIG    1       -3.043  -0.517   0.451  0.00  0.00    -0.338 N 
ATOM     30  H   LIG    1       -2.343  -1.251   0.335  0.00  0.00    +0.146 HD
BRANCH  29  31
ATOM     31  C   LIG    1       -4.339  -1.121   0.602  0.00  0.00    +0.099 C 
ATOM     32  C   LIG    1       -5.115  -1.451  -0.700  0.00  0.00    +0.138 C 
ATOM     33  C   LIG    1       -6.396  -1.018   0.064  0.00  0.00    +0.035 C 
ATOM     34  C   LIG    1       -5.503  -0.220   1.039  0.00  0.00    +0.027 C 
BRANCH  32  35
ATOM     35  O   LIG    1       -5.051  -2.835  -1.118  0.00  0.00    -0.378 OA
ATOM     36  C   LIG    1       -5.821  -3.166  -2.265  0.00  0.00    +0.194 C 
ENDBRANCH  32  35
ENDBRANCH  29  31
ENDBRANCH   4  29
TORSDOF 7