REMARK  Name = BDB014478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.697   0.440   2.655  0.00  0.00    +0.254 C 
ATOM      2  N   LIG    1       -1.134   0.140   1.430  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.803   0.040   0.660  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.080   0.350   3.713  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -3.737   1.207   3.925  0.00  0.00    +0.062 C 
ATOM      6  C   LIG    1       -3.144   0.949   2.544  0.00  0.00    +0.256 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -3.921  -0.072   1.894  0.00  0.00    -0.478 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -4.762   0.446   0.934  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1       -4.280   0.839  -0.324  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1       -5.231   1.323  -1.250  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.782   1.732  -2.513  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -3.434   1.651  -2.832  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -2.572   1.159  -1.873  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -6.596   1.384  -0.915  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -7.040   0.957   0.334  0.00  0.00    +0.004 A 
ATOM     16  N   LIG    1       -2.962   0.757  -0.640  0.00  0.00    -0.251 NA
ATOM     17  C   LIG    1       -6.122   0.477   1.258  0.00  0.00    +0.048 A 
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  18
ATOM     18  C   LIG    1        0.157  -0.526   1.325  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.674  -0.458  -0.119  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        0.777   0.910  -0.550  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        0.117   1.398  -0.020  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.006  -1.212  -0.330  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.082  -0.936   0.645  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.230  -1.843   0.447  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.132  -1.494  -0.719  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        5.172  -0.185  -1.234  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        6.041   0.120  -2.291  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.883  -0.859  -2.816  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.860  -2.151  -2.295  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.239   0.872  -0.696  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.993  -2.466  -1.248  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.572   0.454   0.623  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8