REMARK  Name = BDB013864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.563  -0.430  -0.187  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.614   0.614   0.393  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.087   1.515   1.102  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.752   0.512   0.130  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.359  -0.382  -0.830  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.928  -1.696  -1.114  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.633  -2.458  -2.085  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.733  -1.959  -2.770  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.163  -0.676  -2.498  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.187  -2.479  -0.457  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.487   0.091  -1.545  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.170  -1.757   0.436  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.031  -0.588  -0.428  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.926  -0.054   0.189  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.008   0.718   0.845  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.934  -1.489  -1.261  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.396  -0.035   0.064  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.456   1.492   0.074  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.691  -0.117  -2.038  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.512  -0.658  -0.694  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.277  -1.650  -0.794  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.601   1.529   0.791  0.00  0.00    +0.152 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.762   0.944   1.578  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -4.070   1.458   1.459  0.00  0.00    +0.125 A 
ATOM     25  C   LIG    1       -5.106   0.899   2.218  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -4.850  -0.152   3.102  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -3.558  -0.640   3.231  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1       -3.312  -1.640   4.087  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -2.517  -0.101   2.488  0.00  0.00    +0.047 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -4.229   2.496   0.579  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1       -5.530   3.056   0.448  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6