REMARK  Name = BDB028515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.442  -0.541  -1.551  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -0.939   0.132  -0.654  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.007  -0.302   0.089  0.00  0.00    -0.282 N 
ATOM      4  C   LIG    1       -2.636  -1.587  -0.192  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -3.893  -1.641   0.712  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -3.415  -0.794   1.907  0.00  0.00    +0.060 C 
ATOM      7  C   LIG    1       -2.579   0.308   1.275  0.00  0.00    +0.112 C 
ATOM      8  N   LIG    1       -0.461   1.364  -0.289  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1       -1.174   1.990   0.049  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -5.154  -1.181  -0.014  0.00  0.00    -0.015 A 
ATOM     11  C   LIG    1       -5.607  -1.927  -1.122  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -6.761  -1.567  -1.819  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -7.495  -0.456  -1.420  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -7.074   0.291  -0.323  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.917  -0.069   0.375  0.00  0.00    +0.006 A 
ENDBRANCH   5  10
BRANCH   5  16
ATOM     16  O   LIG    1       -4.109  -2.971   1.199  0.00  0.00    -0.382 OA
ATOM     17  H   LIG    1       -5.068  -3.093   1.307  0.00  0.00    +0.211 HD
ENDBRANCH   5  16
BRANCH   8  18
ATOM     18  C   LIG    1        0.628   1.984  -1.027  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.484   2.903  -0.152  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.387   3.648  -0.978  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        2.953   4.178  -0.390  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.229   2.206   1.020  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.212   1.137   0.804  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.189   1.407  -0.259  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.232   0.315  -0.391  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        4.980  -0.983   0.092  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        5.944  -1.986  -0.072  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.141  -1.712  -0.733  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.385  -0.434  -1.230  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.701  -1.274   0.838  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        6.435   0.574  -1.064  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        2.627  -0.196   0.623  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   8  18
TORSDOF 7