REMARK  Name = BDB017819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.607  -2.887  -0.977  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -1.796  -2.095  -1.442  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -2.196  -2.512  -2.716  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -3.300  -1.956  -3.335  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -4.004  -0.954  -2.658  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -3.619  -0.520  -1.371  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.321  -3.618  -3.218  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -2.504  -1.113  -0.758  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -0.093  -3.462  -2.312  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.397   0.524  -0.714  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1       -5.568   1.049  -1.260  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1       -5.952   1.948  -0.395  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -7.058   2.914  -0.263  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -6.524   3.842   0.858  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -5.482   3.016   1.636  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1       -5.102   2.019   0.661  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1       -4.099   1.140   0.497  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1        1.417  -2.639   0.395  0.00  0.00    +0.218 C 
ATOM     19  N   LIG    1        0.387  -2.071  -0.319  0.00  0.00    -0.308 N 
ATOM     20  H   LIG    1        0.400  -1.079  -0.526  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1        1.524  -3.849   0.567  0.00  0.00    -0.275 OA
BRANCH  18  25
ATOM     22  C   LIG    1        3.810   1.250   0.345  0.00  0.00    +0.218 C 
ATOM     23  N   LIG    1        4.208  -0.086   0.319  0.00  0.00    -0.301 N 
ATOM     24  C   LIG    1        3.250  -1.060  -0.205  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        2.412  -1.631   0.943  0.00  0.00    +0.092 C 
ATOM     26  C   LIG    1        3.344  -2.253   2.000  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1        4.424  -1.262   2.453  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1        5.170  -0.669   1.256  0.00  0.00    +0.108 C 
ATOM     29  O   LIG    1        2.709   1.595  -0.093  0.00  0.00    -0.275 OA
BRANCH  22  31
ATOM     30  C   LIG    1        6.005   2.416  -0.023  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        4.795   2.284   0.901  0.00  0.00    +0.069 C 
ATOM     32  C   LIG    1        4.120   3.648   1.063  0.00  0.00    +0.017 C 
ENDBRANCH  22  31
ENDBRANCH  18  25
ENDBRANCH   1  19
TORSDOF 4