REMARK  Name = BDB022335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.166  -0.107  -0.776  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        0.010   0.171  -0.038  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -0.673  -0.828   0.688  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -1.938  -0.521   1.413  0.00  0.00    +0.034 C 
ATOM      5  C   LIG    1       -2.269  -1.382   2.387  0.00  0.00    +0.015 C 
ATOM      6  C   LIG    1       -1.482  -2.613   2.696  0.00  0.00    +0.134 C 
ATOM      7  N   LIG    1       -0.805  -3.128   1.501  0.00  0.00    -0.329 N 
ATOM      8  C   LIG    1       -0.190  -4.441   1.656  0.00  0.00    +0.129 C 
ATOM      9  C   LIG    1       -0.151  -2.144   0.736  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1        0.994  -2.415  -0.029  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        1.642  -1.415  -0.765  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.812   0.951  -1.441  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        1.164   1.639  -1.818  0.00  0.00    +0.152 HD
BRANCH  12  19
ATOM     14  C   LIG    1        5.485   0.631  -1.887  0.00  0.00    +0.216 A 
ATOM     15  N   LIG    1        5.742   1.389  -2.973  0.00  0.00    -0.220 NA
ATOM     16  C   LIG    1        4.679   2.012  -3.531  0.00  0.00    +0.136 A 
ATOM     17  C   LIG    1        3.378   1.903  -3.058  0.00  0.00    +0.080 A 
ATOM     18 CL   LIG    1        2.110   2.755  -3.861  0.00  0.00    -0.080 Cl
ATOM     19  C   LIG    1        3.126   1.100  -1.935  0.00  0.00    +0.056 A 
ATOM     20  C   LIG    1        4.219   0.460  -1.343  0.00  0.00    +0.092 A 
BRANCH  14  22
ATOM     21  C   LIG    1        7.785   0.194  -1.854  0.00  0.00    +0.279 C 
ATOM     22  O   LIG    1        6.516  -0.029  -1.248  0.00  0.00    -0.480 OA
ENDBRANCH  14  22
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   4  23
ATOM     23  N   LIG    1       -2.666   0.596   1.039  0.00  0.00    -0.338 N 
ATOM     24  H   LIG    1       -2.454   0.919   0.099  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  CA  LIG    1       -4.034   0.932   1.438  0.00  0.00    +0.099 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.287   2.361   1.012  0.00  0.00    +0.011 C 
ATOM     27  C   LIG    1       -3.635   3.503   1.754  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1       -5.118   3.285   1.868  0.00  0.00    +0.006 C 
ENDBRANCH  25  26
BRANCH  25  29
ATOM     29  C   LIG    1       -5.056  -0.020   0.776  0.00  0.00    +0.178 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -4.770  -0.215  -0.612  0.00  0.00    -0.393 OA
ATOM     31  H   LIG    1       -3.881  -0.621  -0.628  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  23  25
ENDBRANCH   4  23
TORSDOF 8