REMARK  Name = BDB014302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.643  -2.416  -0.612  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -0.434  -2.392  -1.334  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1        0.278  -3.591  -1.518  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.196  -4.790  -0.991  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -1.384  -4.806  -0.269  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.103  -3.625  -0.077  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -2.282  -1.213  -0.460  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -3.643  -1.247  -0.032  0.00  0.00    +0.229 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.207   0.166  -0.164  0.00  0.00    +0.045 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.683   0.216   0.224  0.00  0.00    +0.031 C 
BRANCH  10  13
ATOM     11  C   LIG    1       -6.437   2.230   2.541  0.00  0.00    +0.051 C 
ATOM     12  C   LIG    1       -6.589   2.452   1.067  0.00  0.00    +0.029 C 
ATOM     13  C   LIG    1       -6.241   1.606   0.076  0.00  0.00    -0.017 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -7.122   3.797   0.716  0.00  0.00    +0.332 C 
ATOM     15  O   LIG    1       -6.774   4.825   1.272  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -8.079   3.752  -0.234  0.00  0.00    -0.477 OA
ATOM     17  H   LIG    1       -8.340   2.846  -0.477  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1        0.125  -1.111  -1.919  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.288  -0.604  -1.188  0.00  0.00    -0.296 N 
ATOM     20  C   LIG    1        2.552  -0.836  -1.722  0.00  0.00    +0.247 C 
ATOM     21  O   LIG    1        2.756  -1.522  -2.723  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1        1.024  -0.032   0.128  0.00  0.00    +0.132 C 
BRANCH  20  23
ATOM     23  C   LIG    1        3.737  -0.229  -1.077  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.791  -1.059  -0.688  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        5.936  -0.503  -0.108  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        6.051   0.884   0.076  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        4.990   1.704  -0.349  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        3.842   1.155  -0.931  0.00  0.00    +0.014 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.248   1.456   0.690  0.00  0.00    +0.135 A 
ATOM     30  O   LIG    1        7.275   2.818   0.818  0.00  0.00    -0.463 OA
ATOM     31  C   LIG    1        8.452   3.150   1.406  0.00  0.00    +0.196 A 
ATOM     32  C   LIG    1        9.193   2.023   1.665  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        8.419   0.930   1.205  0.00  0.00    +0.050 A 
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 11