REMARK  Name = BDB018801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.969  -0.614   1.164  0.00  0.00    -0.009 A 
ATOM      2  C   LIG    1       -0.824  -0.339   0.412  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -0.688  -0.366  -1.078  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1        0.737   0.157  -1.278  0.00  0.00    +0.118 C 
ATOM      5  N   LIG    1        1.390   0.196   0.041  0.00  0.00    -0.269 N 
ATOM      6  C   LIG    1        2.716   0.525   0.293  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1        3.205   0.601   1.423  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1        0.401  -0.039   1.020  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        0.516  -0.002   2.399  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.616  -0.268   3.172  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -1.842  -0.570   2.562  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -4.091   0.017  -0.051  0.00  0.00    +0.128 A 
ATOM     13  C   LIG    1       -3.256  -0.958   0.540  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -3.675  -2.301   0.538  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -4.887  -2.675  -0.040  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.700  -1.711  -0.626  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -5.305  -0.371  -0.633  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -4.523   2.336  -0.427  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -3.630   1.310  -0.018  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1        3.604   0.738  -0.950  0.00  0.00    +0.170 C 
ATOM     21  N   LIG    1        4.820   1.566  -0.679  0.00  0.00    -0.258 N 
ATOM     22  C   LIG    1        5.993   0.667  -0.527  0.00  0.00    +0.117 C 
ATOM     23  C   LIG    1        5.439  -0.748  -0.611  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1        4.174  -0.594  -1.437  0.00  0.00    +0.034 C 
BRANCH  21  25
ATOM     25  C   LIG    1        4.782   2.836  -0.260  0.00  0.00    +0.170 C 
ATOM     26  N   LIG    1        4.748   3.946   0.068  0.00  0.00    -0.174 NA
ENDBRANCH  21  25
ENDBRANCH   6  20
TORSDOF 4