REMARK  Name = BDB014539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.626   0.914  -0.180  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.742   1.940   0.090  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.111   2.821   0.429  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.252  -0.159  -0.649  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -3.073   1.238   0.189  0.00  0.00    +0.326 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -3.929   0.194  -0.245  0.00  0.00    -0.466 OA
BRANCH   6   8
ATOM      7  C   LIG    1       -6.176  -0.652  -0.248  0.00  0.00    +0.092 A 
ATOM      8  C   LIG    1       -5.252   0.360   0.114  0.00  0.00    +0.237 A 
ATOM      9  N   LIG    1       -5.564   1.516   0.767  0.00  0.00    -0.220 NA
ATOM     10  C   LIG    1       -6.854   1.709   1.088  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1       -7.853   0.809   0.786  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -7.505  -0.365   0.117  0.00  0.00    +0.030 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -4.497  -2.367  -0.871  0.00  0.00    +0.129 C 
ATOM     14  N   LIG    1       -5.859  -1.836  -0.923  0.00  0.00    -0.332 N 
ATOM     15  C   LIG    1       -6.897  -2.760  -1.361  0.00  0.00    +0.129 C 
ENDBRANCH   7  14
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  16
ATOM     16  C   LIG    1        0.676   1.881  -0.256  0.00  0.00    +0.136 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.469   0.845   0.575  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.320  -0.454  -0.015  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        0.369  -0.565  -0.239  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        2.974   1.220   0.605  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.747   0.609   1.710  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        5.135   1.112   1.735  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        6.059   0.505   0.700  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        5.773  -0.745   0.120  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        6.662  -1.300  -0.810  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        7.838  -0.632  -1.147  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        8.134   0.596  -0.560  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.484  -1.458   0.449  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        7.252   1.161   0.361  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        3.780  -0.865   1.679  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 9