REMARK  Name = BDB018744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.352   2.248   1.412  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -5.319   2.012  -0.062  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -4.617   0.661  -0.224  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -5.047  -0.039  -1.506  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -6.072   0.245  -2.122  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -4.279  -1.104  -1.900  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -4.646  -1.654  -2.668  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -3.011  -1.389  -1.386  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.397  -0.482  -0.519  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -1.114  -0.760  -0.030  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -0.441  -1.941  -0.387  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -1.083  -2.832  -1.264  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.357  -2.556  -1.769  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -3.088   0.818  -0.201  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -5.152  -0.101   0.997  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -5.201   0.943   2.106  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        0.905  -2.232   0.134  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        1.962  -1.320  -0.047  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        3.242  -1.591   0.447  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1        3.471  -2.786   1.130  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        2.440  -3.703   1.320  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.166  -3.427   0.824  0.00  0.00    +0.009 A 
BRANCH  19  23
ATOM     23  O   LIG    1        4.340  -0.783   0.329  0.00  0.00    -0.487 OA
BRANCH  23  24
ATOM     24  C   LIG    1        4.166   0.459  -0.359  0.00  0.00    +0.266 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.454   1.257  -0.410  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        5.487   2.519  -1.030  0.00  0.00    +0.047 A 
ATOM     27 CL   LIG    1        4.075   3.209  -1.754  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        6.670   3.262  -1.083  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        7.840   2.758  -0.518  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.827   1.511   0.099  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.645   0.767   0.153  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  33
ATOM     32  N   LIG    1       -6.286   4.300   2.482  0.00  0.00    -0.174 NA
ATOM     33  C   LIG    1       -5.853   3.350   1.984  0.00  0.00    +0.169 C 
ENDBRANCH   1  33
TORSDOF 5