REMARK  Name = BDB022373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.154   4.149  -1.740  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.758   2.848  -1.496  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1        0.001   1.803  -0.891  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.601   0.554  -0.646  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        0.142  -0.428   0.046  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.473  -0.224   0.443  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.058   1.005   0.153  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.002   0.302  -1.091  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -2.678   1.344  -1.597  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1        1.335   2.006  -0.503  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -2.097   2.685  -1.804  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -2.824   3.569  -2.252  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.131  -1.240   1.163  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        1.803  -2.172   0.920  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.214  -1.195   2.072  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1        4.121  -2.267   2.181  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        5.186  -2.137   3.063  0.00  0.00    +0.148 A 
ATOM     18 CL   LIG    1        6.370  -3.366   3.298  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1        5.415  -1.046   3.828  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        4.537  -0.033   3.712  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1        3.446  -0.060   2.860  0.00  0.00    +0.044 A 
BRANCH  16  22
ATOM     22  C   LIG    1        3.952  -3.454   1.407  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        3.748  -4.401   0.766  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  24
ATOM     24  N   LIG    1       -2.501  -0.995  -0.950  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1       -1.783  -1.695  -1.133  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.845  -1.378  -1.467  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.086  -0.909  -0.734  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -4.653  -2.336  -0.606  0.00  0.00    +0.044 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -3.937  -1.587  -2.904  0.00  0.00    +0.088 C 
ATOM     30  N   LIG    1       -4.003  -1.767  -4.049  0.00  0.00    -0.194 NA
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH   8  24
TORSDOF 6