REMARK  Name = BDB026339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.139   0.599   1.619  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.054   0.025   0.263  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.487   0.206  -0.284  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.463  -0.511   0.574  0.00  0.00    -0.325 N 
ATOM      5  C   LIG    1        2.098  -0.575   2.005  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        1.113   0.546   2.407  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.792  -0.200   0.239  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        4.480  -0.839  -0.814  0.00  0.00    +0.151 A 
ATOM      9 CL   LIG    1        3.768  -2.115  -1.733  0.00  0.00    -0.060 Cl
ATOM     10  N   LIG    1        5.747  -0.574  -1.210  0.00  0.00    -0.229 NA
ATOM     11  C   LIG    1        6.388   0.399  -0.516  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1        5.820   1.103   0.536  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.511   0.798   0.909  0.00  0.00    +0.028 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.793   0.700  -0.943  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.229  -0.039  -2.022  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.598  -0.766  -2.353  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.583   0.017  -2.499  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.474   1.531  -0.355  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.251  -0.054   2.326  0.00  0.00    +0.119 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -7.017  -0.136  -0.634  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1       -6.527  -1.582  -0.545  0.00  0.00    +0.271 A 
ATOM     22  O   LIG    1       -7.197  -2.503  -0.989  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1       -5.309  -1.762   0.057  0.00  0.00    -0.319 N 
ATOM     24  H   LIG    1       -4.965  -2.709   0.128  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.572  -0.683   0.554  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -5.093   0.614   0.429  0.00  0.00    +0.088 A 
ATOM     27  C   LIG    1       -4.352   1.685   0.926  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1       -3.114   1.468   1.536  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -2.593   0.170   1.660  0.00  0.00    -0.031 A 
ATOM     30  C   LIG    1       -3.336  -0.910   1.163  0.00  0.00    +0.032 A 
ATOM     31  N   LIG    1       -6.334   0.875  -0.180  0.00  0.00    -0.245 NA
BRANCH  20  33
ATOM     32  C   LIG    1       -8.175   0.144  -2.818  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -8.345   0.099  -1.311  0.00  0.00    +0.057 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5