REMARK  Name = BDB014421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.817  -0.749   0.249  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        2.170   1.342   0.404  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.821   0.182  -0.253  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        2.535  -0.189  -0.875  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        1.539   1.787   1.360  0.00  0.00    -0.272 OA
BRANCH   2   6
ATOM      6  C   LIG    1        3.378   2.068  -0.193  0.00  0.00    +0.324 C 
BRANCH   6   7
ATOM      7  O   LIG    1        4.275   1.220  -0.900  0.00  0.00    -0.483 OA
BRANCH   7  10
ATOM      8  C   LIG    1        6.082  -0.187  -2.454  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1        6.099  -0.258  -0.951  0.00  0.00    -0.009 A 
ATOM     10  C   LIG    1        5.177   0.477  -0.183  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1        5.219   0.389   1.212  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        6.171  -0.417   1.841  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        7.086  -1.141   1.084  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        7.051  -1.063  -0.306  0.00  0.00    +0.007 A 
ENDBRANCH   7  10
ENDBRANCH   6   7
ENDBRANCH   2   6
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -0.618  -0.171   0.265  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.817   0.579   1.470  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1       -0.050   1.188   1.558  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -1.652  -1.325   0.210  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.066  -1.004  -0.060  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -3.677  -0.173   0.991  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -5.142   0.120   0.723  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -5.659   0.062  -0.584  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -7.005   0.376  -0.815  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -7.826   0.771   0.240  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.312   0.850   1.533  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.782  -0.402  -1.721  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -5.976   0.530   1.773  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.285  -0.382  -1.370  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 8