REMARK  Name = BDB014554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.337   1.341   1.140  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.651   0.509   0.081  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.123  -0.372   0.271  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.063   2.532   1.001  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        0.336   0.663   2.521  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        1.356   1.093   3.422  0.00  0.00    -0.481 OA
BRANCH   6   9
ATOM      7  C   LIG    1        4.348  -0.304   1.772  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1        3.036  -0.214   2.229  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1        2.641   0.853   3.026  0.00  0.00    +0.141 A 
ATOM     10  C   LIG    1        3.626   1.729   3.459  0.00  0.00    +0.156 A 
ATOM     11  N   LIG    1        4.934   1.629   3.116  0.00  0.00    -0.258 NA
ATOM     12  C   LIG    1        5.258   0.624   2.269  0.00  0.00    +0.134 A 
BRANCH   7  15
ATOM     13  C   LIG    1        4.674  -2.960  -0.887  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        3.926  -2.003   0.006  0.00  0.00    +0.214 C 
ATOM     15  N   LIG    1        4.767  -1.273   0.833  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        5.759  -1.304   0.627  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        2.704  -1.889  -0.068  0.00  0.00    -0.276 OA
ENDBRANCH   7  15
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1        0.799   1.019  -1.271  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.299   0.039  -2.339  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        0.394   0.657  -3.632  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -0.495   1.041  -3.785  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -1.144  -0.491  -2.150  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.199   0.460  -2.583  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -2.592   1.409  -1.517  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -3.392   0.801  -0.384  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -4.156  -0.362  -0.587  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -4.915  -0.886   0.468  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.931  -0.249   1.709  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.187   0.912   1.907  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.103  -1.080  -1.912  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -3.424   1.438   0.865  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.420  -0.253  -3.016  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 9