REMARK  Name = BDB019543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.038  -0.518  -0.806  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -0.922  -1.522  -0.949  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -2.133  -1.446  -0.259  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -2.372  -0.363   0.592  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -1.411   0.651   0.758  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.195   0.553   0.063  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.826   0.555  -2.039  0.00  0.00    -0.307 N 
ATOM      8  H   LIG    1        1.332   1.424  -1.891  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.309  -0.629  -1.566  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        1.823  -1.726  -1.746  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.118   0.624  -2.682  0.00  0.00    +0.139 C 
BRANCH  11  18
ATOM     12  C   LIG    1        6.286  -0.028   1.171  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1        5.668   0.890   0.155  0.00  0.00    -0.032 A 
ATOM     14  C   LIG    1        5.988   2.254   0.092  0.00  0.00    +0.044 A 
ATOM     15 CL   LIG    1        7.118   2.969   1.187  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        5.391   3.081  -0.863  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        4.468   2.558  -1.769  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        4.138   1.199  -1.732  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1        4.737   0.377  -0.763  0.00  0.00    +0.010 A 
ENDBRANCH  11  18
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  O   LIG    1       -2.981  -2.491  -0.494  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.300  -2.450   0.054  0.00  0.00    +0.173 C 
ATOM     22  C   LIG    1       -4.328  -3.026   1.468  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -4.234  -4.536   1.270  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -4.780  -4.814  -0.129  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -5.158  -3.455  -0.713  0.00  0.00    +0.044 C 
ENDBRANCH  20  21
ENDBRANCH   3  20
BRANCH   5  26
ATOM     26  C   LIG    1       -1.672   1.794   1.712  0.00  0.00    +0.158 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -1.427   3.088   1.097  0.00  0.00    -0.332 N 
ATOM     28  C   LIG    1       -2.162   3.651   0.092  0.00  0.00    +0.199 A 
ATOM     29  N   LIG    1       -1.685   4.827  -0.247  0.00  0.00    -0.244 NA
ATOM     30  C   LIG    1       -0.615   5.039   0.583  0.00  0.00    +0.130 A 
ATOM     31  C   LIG    1       -0.436   3.971   1.430  0.00  0.00    +0.107 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7