REMARK  Name = BDB014618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.622  -4.315  -0.145  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        1.377  -3.601   0.513  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.055  -2.318   0.906  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.863  -1.712   1.078  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.120  -1.654   0.371  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -0.441  -0.373   1.149  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        0.610   0.588   0.945  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        0.421   0.968   0.063  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -1.784   0.271   0.740  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -1.712   0.846  -0.624  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -2.289   2.205  -0.680  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -3.800   2.256  -0.625  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -4.572   1.164  -1.058  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -5.970   1.251  -1.039  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -6.599   2.420  -0.612  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.836   3.509  -0.198  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.905  -0.118  -1.487  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -4.443   3.430  -0.208  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -2.379   0.010  -1.641  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        2.760  -4.073   0.978  0.00  0.00    +0.327 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.808  -3.806   0.056  0.00  0.00    -0.454 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.204  -2.540   0.007  0.00  0.00    +0.297 A 
ATOM     23  N   LIG    1        5.189  -2.132  -0.846  0.00  0.00    -0.308 N 
ATOM     24  H   LIG    1        5.690  -2.733  -1.482  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1        5.343  -0.778  -0.694  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1        4.410  -0.438   0.282  0.00  0.00    +0.093 A 
ATOM     27  C   LIG    1        4.287   0.902   0.676  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        5.119   1.856   0.075  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        6.050   1.484  -0.898  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.184   0.152  -1.308  0.00  0.00    +0.028 A 
ATOM     31  N   LIG    1        3.720  -1.545   0.713  0.00  0.00    -0.195 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8