REMARK  Name = BDB017017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.253   1.704  -1.394  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        0.808   0.581  -0.843  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.027   0.988  -0.335  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        2.218   2.331  -0.602  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        1.145   2.725  -1.247  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.986   0.157   0.389  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.964   0.815   1.063  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.863   0.095   1.764  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.858  -1.283   1.818  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        3.865  -1.946   1.101  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        2.903  -1.228   0.390  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        3.774  -3.419   1.104  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        2.715  -4.015   1.192  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        4.970  -4.024   0.960  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.706  -3.432   0.717  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.038   1.792  -2.045  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.116   2.470  -1.188  0.00  0.00    +0.126 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -1.814   2.060   1.258  0.00  0.00    +0.129 C 
ATOM     19  N   LIG    1       -2.496   1.701   0.013  0.00  0.00    -0.331 N 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.090   0.446  -0.114  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1       -3.948   0.144  -1.188  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1       -4.551  -1.113  -1.329  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -4.314  -2.103  -0.386  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -5.050  -3.647  -0.554  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -3.485  -1.841   0.696  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -2.889  -0.579   0.828  0.00  0.00    +0.024 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7