REMARK  Name = BDB013386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.098   0.297   0.686  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -0.755  -0.762   1.057  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.120  -0.737   0.745  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.692   0.335   0.052  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -4.144   0.306  -0.244  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -4.778   1.484  -0.949  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -6.309   1.472  -0.931  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -6.850   0.079  -1.215  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -6.343  -0.920  -0.176  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -4.875  -0.769   0.124  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -4.253  -1.908   0.864  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -4.907  -2.883   1.221  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.847   1.379  -0.338  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1       -2.918  -1.817   1.131  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1       -2.522  -2.596   1.639  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1       -0.478   1.360  -0.029  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        2.293   1.622   0.917  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        1.612   0.236   1.015  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.812  -0.240   2.413  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1        1.955  -0.633   3.497  0.00  0.00    -0.196 NA
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.254  -0.775   0.013  0.00  0.00    +0.061 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.764  -0.891   0.038  0.00  0.00    -0.045 A 
ATOM     23  C   LIG    1        4.542  -0.158  -0.872  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        5.943  -0.222  -0.848  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        6.562  -1.062   0.086  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        5.798  -1.804   0.989  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.407  -1.719   0.966  0.00  0.00    +0.004 A 
BRANCH  24  28
ATOM     28  C   LIG    1        6.782   0.540  -1.841  0.00  0.00    +0.191 C 
BRANCH  28  29
ATOM     29  O   LIG    1        6.142   1.751  -2.228  0.00  0.00    -0.390 OA
ATOM     30  H   LIG    1        6.757   2.208  -2.826  0.00  0.00    +0.210 HD
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 6