REMARK  Name = BDB036395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.090   1.047  -0.420  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.240   1.909  -1.496  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.042   2.815  -1.623  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.228   1.532  -2.488  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.546   0.412  -2.012  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.476  -0.165  -2.760  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.786   0.431  -3.996  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        0.083   1.559  -4.463  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.941   2.123  -3.703  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.105   0.005  -0.686  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -5.247  -0.921   3.611  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.644  -0.301   2.740  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.943  -0.474   1.413  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.616  -1.205   1.222  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.132  -0.144   0.350  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.265  -0.714  -0.731  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.090   0.951   0.636  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.470   0.701   2.008  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.564   0.705   3.065  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        1.236  -1.356  -2.251  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.151  -0.947  -1.208  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.767  -0.175  -1.422  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.449  -1.780  -0.153  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        1.917  -2.871   0.018  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.488  -1.300   0.797  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        3.721   0.064   1.011  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        4.704   0.458   1.919  0.00  0.00    +0.042 A 
ATOM     28 CL   LIG    1        4.994   2.134   2.185  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        5.448  -0.490   2.622  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        5.205  -1.849   2.422  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        4.225  -2.253   1.514  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4