REMARK  Name = BDB036189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.897  -0.070   0.906  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.541  -1.435   1.355  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.648  -2.178   0.335  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.590  -1.472  -0.068  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.433  -0.001   0.063  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.017   0.483  -0.150  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.920   0.707   0.161  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -5.255   1.502   1.031  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1       -3.945   1.221   1.263  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1       -3.248   2.114   2.250  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -3.257   0.159   0.644  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -3.987  -0.632  -0.252  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -5.332  -0.364  -0.498  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -9.109   1.402  -1.755  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -7.784   0.962  -1.397  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.076   0.965  -2.119  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.362   1.039  -0.076  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -8.103   1.367   0.844  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.758  -1.953   0.693  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.078  -1.452   0.133  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1        3.989  -0.661   0.858  0.00  0.00    +0.051 A 
ATOM     22 CL   LIG    1        3.618  -0.175   2.485  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        5.210  -0.239   0.280  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.183   0.614   1.048  0.00  0.00    +0.119 C 
ATOM     25  C   LIG    1        7.495   0.844   0.367  0.00  0.00    +0.181 C 
ATOM     26  C   LIG    1        7.598   0.452  -1.085  0.00  0.00    +0.081 C 
ATOM     27  N   LIG    1        6.675  -0.210  -1.705  0.00  0.00    -0.249 NA
ATOM     28  C   LIG    1        8.848   0.863  -1.810  0.00  0.00    +0.069 C 
ATOM     29  O   LIG    1        8.461   1.361   0.915  0.00  0.00    -0.290 OA
ATOM     30  C   LIG    1        5.508  -0.601  -1.039  0.00  0.00    +0.069 A 
ATOM     31  C   LIG    1        4.606  -1.385  -1.757  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        3.410  -1.810  -1.183  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4