REMARK  Name = BDB047988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.197   0.628  -0.994  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1        0.114   1.617  -2.137  0.00  0.00    +0.275 A 
ATOM      3  O   LIG    1       -0.744   2.270  -2.708  0.00  0.00    -0.266 OA
ATOM      4  N   LIG    1        1.444   1.686  -2.476  0.00  0.00    -0.325 N 
ATOM      5  H   LIG    1        1.695   2.312  -3.231  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1        2.384   0.907  -1.861  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1        2.039   0.051  -0.884  0.00  0.00    +0.090 A 
ATOM      8  N   LIG    1        0.739  -0.102  -0.447  0.00  0.00    -0.240 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        2.990  -0.794  -0.218  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        4.310  -0.473   0.240  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.843  -1.638   0.799  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        6.131  -1.700   1.345  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        6.901  -0.533   1.330  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        6.397   0.649   0.795  0.00  0.00    +0.001 A 
ATOM     15  N   LIG    1        3.880  -2.615   0.703  0.00  0.00    -0.360 N 
ATOM     16  H   LIG    1        3.988  -3.562   1.040  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        5.107   0.694   0.253  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        2.758  -2.118   0.099  0.00  0.00    +0.093 A 
ENDBRANCH   7   9
BRANCH   1  23
ATOM     19  C   LIG    1       -3.815   1.347  -0.045  0.00  0.00    +0.166 A 
ATOM     20  C   LIG    1       -4.175   0.102   0.497  0.00  0.00    +0.204 A 
ATOM     21  C   LIG    1       -3.268  -0.970   0.526  0.00  0.00    +0.166 A 
ATOM     22  C   LIG    1       -1.978  -0.772   0.030  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -1.599   0.473  -0.502  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -2.514   1.532  -0.520  0.00  0.00    +0.059 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -4.596   3.412  -0.929  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.778   2.324  -0.031  0.00  0.00    -0.491 OA
ENDBRANCH  19  26
BRANCH  20  27
ATOM     27  O   LIG    1       -5.465  -0.093   0.939  0.00  0.00    -0.488 OA
ATOM     28  C   LIG    1       -5.554   0.228   2.326  0.00  0.00    +0.277 C 
ENDBRANCH  20  27
BRANCH  21  29
ATOM     29  O   LIG    1       -3.732  -2.145   1.058  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -2.852  -3.261   1.051  0.00  0.00    +0.277 C 
ENDBRANCH  21  29
ENDBRANCH   1  23
TORSDOF 5