REMARK  Name = BDB022374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.064  -1.371   0.275  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.404  -1.404   0.002  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        1.087  -2.633  -0.047  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.457  -2.642  -0.359  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        3.157  -1.452  -0.582  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.516  -0.221  -0.492  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1        0.390  -3.841   0.251  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        1.086  -5.117   0.225  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -0.936  -3.830   0.643  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -1.572  -4.827   0.985  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        1.146  -0.217  -0.188  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -1.638  -2.531   0.618  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.711  -0.147   0.151  0.00  0.00    -0.331 N 
ATOM     14  H   LIG    1       -1.254   0.486  -0.510  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.151   0.232   0.211  0.00  0.00    +0.089 C 
ATOM     16  C   LIG    1       -3.954  -0.588  -0.813  0.00  0.00    +0.040 C 
BRANCH  15  17
ATOM     17  C   LIG    1       -3.254   1.719  -0.255  0.00  0.00    +0.152 A 
ATOM     18  N   LIG    1       -2.186   2.229  -0.926  0.00  0.00    -0.238 NA
ATOM     19  C   LIG    1       -2.295   3.498  -1.362  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -3.413   4.273  -1.169  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -4.444   3.668  -0.492  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -4.395   2.403  -0.034  0.00  0.00    -0.238 NA
ENDBRANCH  15  17
BRANCH  15  24
ATOM     23  C   LIG    1       -5.146  -0.026   1.880  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -3.639   0.100   1.679  0.00  0.00    +0.030 C 
ENDBRANCH  15  24
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  25
ATOM     25  N   LIG    1        3.180   1.011  -0.638  0.00  0.00    -0.313 N 
ATOM     26  H   LIG    1        2.555   1.760  -0.931  0.00  0.00    +0.152 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.531   1.386  -0.460  0.00  0.00    +0.053 A 
ATOM     28  C   LIG    1        5.092   2.453  -1.187  0.00  0.00    +0.110 A 
ATOM     29  C   LIG    1        6.439   2.739  -0.999  0.00  0.00    +0.148 A 
ATOM     30 CL   LIG    1        7.255   4.015  -1.821  0.00  0.00    -0.061 Cl
ATOM     31  N   LIG    1        7.254   2.059  -0.163  0.00  0.00    -0.242 NA
ATOM     32  C   LIG    1        6.701   1.044   0.525  0.00  0.00    +0.114 A 
ATOM     33  C   LIG    1        5.371   0.675   0.407  0.00  0.00    +0.044 A 
BRANCH  28  34
ATOM     34  C   LIG    1        4.300   3.226  -2.091  0.00  0.00    +0.104 C 
ATOM     35  N   LIG    1        3.606   3.835  -2.794  0.00  0.00    -0.191 NA
ENDBRANCH  28  34
ENDBRANCH  25  27
ENDBRANCH   6  25
TORSDOF 7