REMARK  Name = BDB050340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.774  -0.562   0.399  0.00  0.00    +0.048 A 
ATOM      2  N   LIG    1       -1.186  -1.784   0.154  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1       -1.680  -2.663   0.123  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        0.165  -1.649  -0.065  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        0.458  -0.292   0.024  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.788   0.137  -0.172  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        2.781  -0.809  -0.447  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        2.451  -2.164  -0.524  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        1.139  -2.614  -0.338  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -0.764   0.378   0.312  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  19
ATOM     11  O   LIG    1       -2.740   1.758  -1.552  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -3.777   1.522  -0.966  0.00  0.00    +0.245 C 
ATOM     13  C   LIG    1       -4.033   0.515   0.086  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -5.395   0.618   0.415  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -5.968  -0.208   1.366  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -5.153  -1.150   1.992  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -3.789  -1.252   1.661  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -6.051   1.690  -0.388  0.00  0.00    +0.140 C 
ATOM     19  C   LIG    1       -3.198  -0.417   0.693  0.00  0.00    +0.011 A 
ATOM     20  N   LIG    1       -4.969   2.179  -1.194  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1       -5.032   2.906  -1.894  0.00  0.00    +0.149 HD
ENDBRANCH   1  19
BRANCH   7  22
ATOM     22  O   LIG    1        4.107  -0.537  -0.658  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.498   0.838  -0.642  0.00  0.00    +0.231 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.995   0.919  -0.939  0.00  0.00    +0.069 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.837   0.310   0.174  0.00  0.00    +0.159 C 
BRANCH  25  26
ATOM     26  O   LIG    1        6.732   1.111   1.345  0.00  0.00    -0.395 OA
ATOM     27  H   LIG    1        7.225   0.652   2.046  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 6