REMARK  Name = BDB056418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.276   0.099   1.287  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1       -2.167   0.862   1.541  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1       -1.418   1.046   0.893  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1       -2.235   1.307   2.833  0.00  0.00    +0.130 A 
ATOM      5  C   LIG    1       -3.438   0.794   3.298  0.00  0.00    +0.182 A 
ATOM      6  N   LIG    1       -3.907   1.015   4.545  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -3.110   1.796   5.313  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1       -1.894   2.351   4.927  0.00  0.00    +0.103 A 
ATOM      9 CL   LIG    1       -1.018   3.329   6.043  0.00  0.00    -0.078 Cl
ATOM     10  C   LIG    1       -1.408   2.091   3.644  0.00  0.00    +0.175 A 
ATOM     11  N   LIG    1       -4.068   0.054   2.339  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -1.516  -0.088  -1.587  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -2.829  -0.690  -1.257  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.573  -0.621  -0.054  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -4.704  -1.367  -0.285  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1       -4.593  -1.824  -1.561  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1       -5.534  -2.658  -2.268  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1       -3.465  -1.425  -2.180  0.00  0.00    -0.176 NA
ENDBRANCH   1  14
BRANCH  10  19
ATOM     19  O   LIG    1       -0.223   2.679   3.231  0.00  0.00    -0.452 OA
BRANCH  19  20
ATOM     20  C   LIG    1        0.635   1.922   2.470  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        1.012   0.624   2.820  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        1.902  -0.080   2.007  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        2.428   0.513   0.850  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        2.079   1.832   0.529  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        1.184   2.534   1.342  0.00  0.00    +0.047 A 
BRANCH  23  26
ATOM     26  C   LIG    1        3.387  -0.276   0.022  0.00  0.00    +0.248 C 
ATOM     27  N   LIG    1        3.333  -0.024  -1.337  0.00  0.00    -0.282 N 
ATOM     28  H   LIG    1        2.602   0.588  -1.669  0.00  0.00    +0.155 HD
ATOM     29  O   LIG    1        4.102  -1.090   0.592  0.00  0.00    -0.270 OA
BRANCH  27  30
ATOM     30  C   LIG    1        4.139  -0.597  -2.345  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1        3.847  -0.250  -3.671  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        4.600  -0.770  -4.728  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        5.654  -1.641  -4.468  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        5.954  -1.989  -3.154  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1        5.200  -1.468  -2.096  0.00  0.00    +0.023 A 
ENDBRANCH  27  30
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 5