REMARK  Name = BDB018585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.187  -2.756  -0.802  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1        0.821  -2.840  -1.367  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.556  -3.825  -2.249  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        1.507  -4.745  -2.652  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        1.124  -5.761  -3.620  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        2.810  -4.718  -2.175  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        3.700  -5.499  -2.502  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        3.114  -3.651  -1.192  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  13
ATOM      9  N   LIG    1        3.223   0.221   2.084  0.00  0.00    -0.315 N 
ATOM     10  C   LIG    1        3.681   0.382   0.779  0.00  0.00    +0.252 A 
ATOM     11  O   LIG    1        4.311   1.353   0.371  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1        3.338  -0.706  -0.174  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        2.586  -1.757   0.203  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1        2.147  -1.830   1.587  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.463  -0.870   2.462  0.00  0.00    +0.089 A 
BRANCH   9  17
ATOM     16  C   LIG    1        2.414   2.355   3.028  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        3.490   1.278   3.056  0.00  0.00    +0.121 C 
ENDBRANCH   9  17
ENDBRANCH   1  13
BRANCH   2  18
ATOM     18  C   LIG    1       -0.204  -1.913  -0.984  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -0.125  -0.539  -1.006  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1       -1.311  -0.047  -0.493  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1       -2.171  -1.058  -0.237  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1       -1.501  -2.175  -0.518  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -1.639   1.315  -0.207  0.00  0.00    +0.083 A 
ATOM     24  C   LIG    1       -2.954   1.729   0.131  0.00  0.00    +0.081 A 
ATOM     25  C   LIG    1       -3.223   3.098   0.424  0.00  0.00    -0.025 A 
ATOM     26  C   LIG    1       -2.147   4.006   0.401  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -0.859   3.603   0.070  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -0.605   2.270  -0.237  0.00  0.00    +0.029 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -4.611   3.600   0.795  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1       -5.713   3.596  -0.241  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -5.148   4.898   0.231  0.00  0.00    +0.009 C 
ENDBRANCH  25  29
BRANCH  24  32
ATOM     32  C   LIG    1       -4.080   0.827   0.175  0.00  0.00    +0.102 C 
ATOM     33  N   LIG    1       -5.042   0.176   0.223  0.00  0.00    -0.191 NA
ENDBRANCH  24  32
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 6