REMARK  Name = BDB056072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.957  -0.394   2.649  0.00  0.00    +0.161 A 
ATOM      2  N   LIG    1        0.609   0.180   1.452  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        1.254   0.447   0.725  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -0.744   0.393   1.446  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -1.164  -0.067   2.687  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -2.523   0.004   3.018  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.418   0.540   2.081  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -2.975   1.002   0.830  0.00  0.00    -0.031 A 
ATOM      9  C   LIG    1       -1.609   0.937   0.495  0.00  0.00    +0.032 A 
ATOM     10  N   LIG    1       -0.104  -0.538   3.421  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        3.581  -0.729   2.204  0.00  0.00    +0.081 A 
ATOM     12  C   LIG    1        2.430  -0.786   3.042  0.00  0.00    +0.149 A 
ATOM     13  N   LIG    1        2.747  -1.203   4.275  0.00  0.00    -0.169 NA
ATOM     14  N   LIG    1        4.075  -1.367   4.236  0.00  0.00    -0.282 N 
ATOM     15  H   LIG    1        4.541  -1.686   5.079  0.00  0.00    +0.188 HD
ATOM     16  C   LIG    1        4.626  -1.092   3.018  0.00  0.00    +0.129 A 
BRANCH  11  17
ATOM     17  N   LIG    1        3.623  -0.462   0.876  0.00  0.00    -0.296 N 
ATOM     18  H   LIG    1        2.940  -0.921   0.275  0.00  0.00    +0.154 HD
BRANCH  17  22
ATOM     19  C   LIG    1        5.281  -0.328  -3.570  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1        5.462   0.026  -2.127  0.00  0.00    +0.130 A 
ATOM     21  N   LIG    1        4.495  -0.345  -1.266  0.00  0.00    -0.217 NA
ATOM     22  C   LIG    1        4.674  -0.068   0.038  0.00  0.00    +0.128 A 
ATOM     23  C   LIG    1        5.785   0.603   0.489  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1        6.707   0.929  -0.471  0.00  0.00    +0.135 A 
ATOM     25 CL   LIG    1        8.148   1.762  -0.051  0.00  0.00    -0.062 Cl
ATOM     26  N   LIG    1        6.589   0.653  -1.776  0.00  0.00    -0.221 NA
ENDBRANCH  17  22
ENDBRANCH  11  17
ENDBRANCH   1  12
BRANCH   8  27
ATOM     27  C   LIG    1       -3.965   1.585  -0.162  0.00  0.00    +0.119 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.994   0.864  -1.445  0.00  0.00    -0.294 NA
ATOM     29  C   LIG    1       -4.469  -0.529  -1.273  0.00  0.00    +0.113 C 
ATOM     30  C   LIG    1       -5.064  -1.096  -2.571  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1       -6.235  -0.386  -2.998  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1       -6.232   0.992  -2.603  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1       -4.818   1.573  -2.448  0.00  0.00    +0.113 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5