REMARK  Name = BDB022257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.785   0.462  -0.780  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -0.575   0.301  -0.480  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -1.163   0.841   0.686  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.621   0.677   0.964  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -3.056   1.092   2.160  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -2.205   1.753   3.171  0.00  0.00    +0.253 A 
ATOM      7  N   LIG    1       -0.884   1.984   2.834  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -0.041   2.669   3.801  0.00  0.00    +0.152 C 
ATOM      9  O   LIG    1       -2.720   2.079   4.240  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -0.337   1.514   1.604  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        1.024   1.684   1.302  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.574   1.166   0.125  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        1.303  -0.138  -1.943  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        0.608  -0.238  -2.682  0.00  0.00    +0.152 HD
BRANCH  13  20
ATOM     15  C   LIG    1        4.721  -1.530  -1.561  0.00  0.00    +0.129 A 
ATOM     16  N   LIG    1        5.199  -1.534  -2.825  0.00  0.00    -0.229 NA
ATOM     17  C   LIG    1        4.370  -1.090  -3.791  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        5.095  -1.139  -5.353  0.00  0.00    -0.061 Cl
ATOM     19  C   LIG    1        3.079  -0.631  -3.569  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1        2.592  -0.631  -2.248  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        3.444  -1.089  -1.233  0.00  0.00    +0.057 A 
BRANCH  15  25
ATOM     22  C   LIG    1        6.500  -1.808   1.778  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        5.572  -1.442   0.736  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        5.119  -0.542   0.812  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        5.643  -2.060  -0.504  0.00  0.00    +0.262 C 
ATOM     26  O   LIG    1        6.415  -2.980  -0.749  0.00  0.00    -0.269 OA
ENDBRANCH  15  25
BRANCH  19  27
ATOM     27  C   LIG    1        2.269  -0.170  -4.651  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1        1.559   0.202  -5.491  0.00  0.00    -0.191 NA
ENDBRANCH  19  27
ENDBRANCH  13  20
ENDBRANCH   1  13
BRANCH   4  29
ATOM     29  N   LIG    1       -3.401   0.126  -0.052  0.00  0.00    -0.338 N 
ATOM     30  H   LIG    1       -3.115   0.496  -0.958  0.00  0.00    +0.147 HD
BRANCH  29  31
ATOM     31  C   LIG    1       -4.814  -0.280  -0.069  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1       -5.118  -1.304   1.032  0.00  0.00    +0.031 C 
ATOM     33  C   LIG    1       -5.738   0.940   0.019  0.00  0.00    +0.031 C 
ATOM     34  C   LIG    1       -5.057  -0.972  -1.428  0.00  0.00    +0.031 C 
ENDBRANCH  29  31
ENDBRANCH   4  29
TORSDOF 6