REMARK  Name = BDB048347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.173   1.641  -0.805  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.562   1.601   0.679  0.00  0.00    +0.109 C 
BRANCH   2   3
ATOM      3  N   LIG    1       -1.612   0.228   1.213  0.00  0.00    -0.318 N 
ATOM      4  C   LIG    1       -1.601   0.183   2.679  0.00  0.00    +0.130 C 
BRANCH   3   7
ATOM      5  C   LIG    1       -1.262  -2.492   0.277  0.00  0.00    +0.049 C 
ATOM      6  C   LIG    1       -2.587  -1.807   0.340  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -2.747  -0.490   0.755  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -3.949   0.117   0.750  0.00  0.00    -0.212 NA
ATOM      9  C   LIG    1       -5.010  -0.590   0.318  0.00  0.00    +0.162 A 
ATOM     10  N   LIG    1       -4.950  -1.863  -0.112  0.00  0.00    -0.235 NA
ATOM     11  C   LIG    1       -3.735  -2.436  -0.096  0.00  0.00    +0.120 A 
BRANCH   9  12
ATOM     12  C   LIG    1       -6.328   0.080   0.315  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -7.489  -0.578  -0.137  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -8.736   0.055  -0.140  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -8.854   1.366   0.310  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.726   2.044   0.763  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -6.480   1.407   0.764  0.00  0.00    +0.011 A 
ENDBRANCH   9  12
ENDBRANCH   3   7
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.337   1.556  -1.037  0.00  0.00    +0.230 C 
BRANCH  18  19
ATOM     19  O   LIG    1        0.832   0.286  -0.623  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.187   0.098  -0.675  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.109   0.964  -1.268  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.453   0.617  -1.246  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1        5.607   1.393  -1.797  0.00  0.00    +0.036 C 
ATOM     24  C   LIG    1        6.691   0.305  -1.851  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        6.391  -0.689  -0.704  0.00  0.00    +0.030 C 
ATOM     26  C   LIG    1        4.891  -0.561  -0.630  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1        3.987  -1.430  -0.045  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        2.631  -1.093  -0.075  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1        7.082  -0.274   0.597  0.00  0.00    +0.128 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.003  -1.346   1.649  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1        6.828  -2.541   1.481  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        7.211  -0.855   2.887  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1        7.147  -1.641   3.469  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10