REMARK  Name = BDB029402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.617  -0.063   0.522  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -1.347   0.597  -0.486  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -2.684   0.283  -0.657  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.681   0.828  -1.636  0.00  0.00    +0.133 C 
ATOM      5  C   LIG    1       -4.949   0.047  -1.271  0.00  0.00    +0.222 C 
ATOM      6  N   LIG    1       -4.629  -0.802  -0.218  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -5.301  -1.425   0.205  0.00  0.00    +0.155 HD
ATOM      8  O   LIG    1       -6.044   0.144  -1.800  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -3.300  -0.669   0.149  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -2.629  -1.340   1.144  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -1.276  -1.028   1.326  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1        3.077   0.466  -0.092  0.00  0.00    +0.119 A 
ATOM     13  N   LIG    1        3.523   0.844   1.120  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1        2.629   0.914   2.129  0.00  0.00    +0.113 A 
ATOM     15  C   LIG    1        1.284   0.624   1.992  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        0.807   0.243   0.737  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        1.732   0.172  -0.314  0.00  0.00    +0.052 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.343   0.674  -0.860  0.00  0.00    +0.127 C 
ATOM     19  N   LIG    1        3.954   0.401  -1.191  0.00  0.00    -0.332 N 
ATOM     20  H   LIG    1        3.845  -0.501  -1.645  0.00  0.00    +0.147 HD
ENDBRANCH  12  19
ENDBRANCH   1  16
TORSDOF 2