REMARK  Name = BDB049689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.551   0.366   0.474  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -2.885   0.568   1.417  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.140   0.273   0.445  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -0.450   0.050   1.643  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        0.940  -0.116   1.654  0.00  0.00    +0.084 A 
ATOM      6 CL   LIG    1        1.712  -0.356   3.184  0.00  0.00    -0.080 Cl
ATOM      7  C   LIG    1        1.678  -0.087   0.463  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1        0.990   0.090  -0.738  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -0.403   0.255  -0.743  0.00  0.00    +0.027 A 
BRANCH   7  10
ATOM     10  O   LIG    1        3.031  -0.263   0.567  0.00  0.00    -0.486 OA
BRANCH  10  11
ATOM     11  C   LIG    1        3.824  -0.038  -0.599  0.00  0.00    +0.264 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.292  -0.116  -0.246  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1        6.206  -0.667  -1.157  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        7.569  -0.709  -0.858  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        8.036  -0.193   0.349  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.141   0.368   1.257  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.778   0.412   0.959  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   1   3
BRANCH   1  19
ATOM     18  C   LIG    1       -4.795   0.714  -0.423  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1       -3.424   0.972  -0.471  0.00  0.00    +0.140 A 
ATOM     20  N   LIG    1       -2.903   1.802  -1.395  0.00  0.00    -0.220 NA
ATOM     21  C   LIG    1       -3.757   2.394  -2.237  0.00  0.00    +0.225 A 
ATOM     22  N   LIG    1       -5.081   2.228  -2.251  0.00  0.00    -0.220 NA
ATOM     23  C   LIG    1       -5.599   1.399  -1.333  0.00  0.00    +0.133 A 
BRANCH  18  26
ATOM     24  N   LIG    1       -4.659  -1.319   0.934  0.00  0.00    -0.249 N 
ATOM     25  H   LIG    1       -3.694  -1.434   0.612  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -5.410  -0.213   0.554  0.00  0.00    +0.264 C 
ATOM     27  O   LIG    1       -6.541  -0.001   0.989  0.00  0.00    -0.269 OA
BRANCH  24  28
ATOM     28  N   LIG    1       -5.136  -2.156   1.962  0.00  0.00    -0.254 NA
ATOM     29  H   LIG    1       -5.613  -2.950   1.526  0.00  0.00    +0.140 HD
ATOM     30  H   LIG    1       -5.896  -1.652   2.441  0.00  0.00    +0.140 HD
ENDBRANCH  24  28
ENDBRANCH  18  26
BRANCH  23  31
ATOM     31  N   LIG    1       -6.989   1.211  -1.415  0.00  0.00    -0.342 N 
ATOM     32  H   LIG    1       -7.383   1.268  -0.471  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       -7.194   0.267  -1.730  0.00  0.00    +0.144 HD
ENDBRANCH  23  31
ENDBRANCH   1  19
TORSDOF 8