REMARK  Name = BDB014628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.252  -0.443   2.975  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        1.801  -1.193   2.170  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.272  -1.466   0.929  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.938  -1.823   0.240  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.056  -0.835   0.432  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        0.239   0.670   0.149  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        0.158   1.457   1.346  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        0.529   0.912   2.075  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -0.779   1.201  -0.888  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.195   0.821  -0.679  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -2.727   1.407   0.573  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -4.228   1.257   0.735  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.055   0.974  -0.365  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -6.441   0.864  -0.187  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.006   1.060   1.072  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.193   1.361   2.162  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.441   0.728  -1.718  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -4.812   1.462   1.994  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.012   1.278  -1.816  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        3.142  -1.876   2.451  0.00  0.00    +0.327 C 
BRANCH  20  21
ATOM     21  O   LIG    1        4.265  -1.139   1.987  0.00  0.00    -0.454 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.488  -1.203   0.679  0.00  0.00    +0.297 A 
ATOM     23  N   LIG    1        5.530  -0.534   0.105  0.00  0.00    -0.308 N 
ATOM     24  H   LIG    1        6.196   0.037   0.602  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1        5.492  -0.775  -1.244  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1        4.389  -1.608  -1.410  0.00  0.00    +0.093 A 
ATOM     27  C   LIG    1        4.057  -2.056  -2.697  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        4.852  -1.646  -3.775  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.953  -0.808  -3.577  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.300  -0.351  -2.300  0.00  0.00    +0.028 A 
ATOM     31  N   LIG    1        3.772  -1.859  -0.206  0.00  0.00    -0.195 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8