REMARK  Name = BDB053422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.706  -1.335   0.060  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -0.256  -2.283   0.209  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.137  -3.269   0.352  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -1.484  -1.706   0.145  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -2.558  -2.260   0.240  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.146  -0.272  -0.065  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1       -1.984   0.765  -0.182  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.228  -0.140  -0.105  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -3.448   0.725  -0.145  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -4.121   1.453   0.847  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -5.500   1.429   0.844  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -6.307   2.070   1.732  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -7.608   1.679   1.246  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -7.556   0.837   0.076  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -6.212   0.727  -0.099  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1       -5.585   0.011  -1.095  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -4.186   0.017  -1.117  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        2.004  -1.753   0.102  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1        2.159  -2.740   0.246  0.00  0.00    +0.155 HD
BRANCH  18  23
ATOM     20  C   LIG    1        5.659   0.375  -0.259  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        4.446   1.056  -0.346  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        3.227   0.376  -0.230  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        3.188  -1.004  -0.024  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        4.419  -1.679   0.062  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        5.641  -1.001  -0.054  0.00  0.00    +0.047 A 
BRANCH  20  27
ATOM     26  C   LIG    1        8.031   0.506  -0.306  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        6.770   1.158  -0.389  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4