REMARK  Name = BDB038701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.807  -0.689   1.073  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.517  -0.171   0.912  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        0.401  -0.819   0.096  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1        0.083  -1.982  -0.503  0.00  0.00    -0.236 NA
ATOM      5  C   LIG    1       -1.139  -2.542  -0.338  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -2.100  -1.900   0.441  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.669  -0.252  -0.144  0.00  0.00    -0.248 N 
ATOM      8  C   LIG    1        2.666  -0.831  -0.927  0.00  0.00    +0.253 C 
ATOM      9  O   LIG    1        2.726  -1.895  -1.515  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.782   0.125  -0.956  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        3.427   1.241  -0.208  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        4.305   2.301  -0.072  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        5.550   2.211  -0.707  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        5.908   1.075  -1.472  0.00  0.00    -0.021 A 
ATOM     15  C   LIG    1        5.005   0.010  -1.593  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        2.055   1.062   0.346  0.00  0.00    +0.151 C 
BRANCH  14  17
ATOM     17  C   LIG    1        7.262   1.011  -2.127  0.00  0.00    +0.191 C 
BRANCH  17  18
ATOM     18  O   LIG    1        8.278   0.856  -1.147  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1        7.881   0.403  -0.383  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     20  C   LIG    1       -3.159   1.393   1.639  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -2.830   0.031   1.864  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1       -3.505  -0.649   2.898  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -4.464  -0.008   3.686  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -4.761   1.331   3.458  0.00  0.00    +0.042 A 
ATOM     25 CL   LIG    1       -5.937   2.123   4.432  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -4.112   2.033   2.447  0.00  0.00    +0.032 A 
BRANCH  20  29
ATOM     27  C   LIG    1       -3.618   1.194  -1.450  0.00  0.00    +0.152 C 
ATOM     28  N   LIG    1       -2.707   2.066  -0.758  0.00  0.00    -0.317 N 
ATOM     29  C   LIG    1       -2.513   2.189   0.596  0.00  0.00    +0.164 A 
ATOM     30  N   LIG    1       -1.605   3.127   0.798  0.00  0.00    -0.129 NA
ATOM     31  N   LIG    1       -1.181   3.592  -0.424  0.00  0.00    -0.138 NA
ATOM     32  C   LIG    1       -1.854   2.949  -1.347  0.00  0.00    +0.225 A 
ENDBRANCH  20  29
ENDBRANCH   1  21
BRANCH   5  33
ATOM     33  C   LIG    1       -1.381  -3.856  -1.053  0.00  0.00    +0.038 C 
ATOM     34  C   LIG    1       -2.713  -4.195  -1.677  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1       -2.245  -4.944  -0.461  0.00  0.00    +0.010 C 
ENDBRANCH   5  33
TORSDOF 6