REMARK  Name = BDB034767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.442  -1.241  -0.734  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.068  -1.125  -0.481  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        0.474  -2.409  -0.458  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        1.814  -2.623  -0.229  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.618  -1.494  -0.025  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.086  -0.181  -0.045  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -0.562  -3.319  -0.696  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -0.418  -4.745  -0.750  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        0.712  -0.002  -0.283  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -1.769  -2.609  -0.872  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -2.873  -3.081  -1.093  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.893   0.965   0.115  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.378   1.764   0.480  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.269   1.189  -0.124  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        4.997   2.123   0.637  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        6.355   2.260   0.381  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        7.369   3.362   1.233  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        7.031   1.554  -0.553  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        6.319   0.666  -1.271  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        4.963   0.450  -1.091  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.360   2.906   1.646  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        3.783   3.527   2.440  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1       -2.380  -0.144  -0.814  0.00  0.00    +0.133 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.782  -0.682   1.227  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -2.857   0.354   0.574  0.00  0.00    +0.037 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.490   1.775   0.484  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1       -4.654   1.865  -0.508  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -3.952   2.299   1.851  0.00  0.00    +0.041 C 
BRANCH  26  29
ATOM     29  O   LIG    1       -2.473   2.672   0.009  0.00  0.00    -0.389 OA
ATOM     30  H   LIG    1       -1.881   2.877   0.754  0.00  0.00    +0.210 HD
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 7