REMARK  Name = BDB015758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.305  -1.348   0.387  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.813  -0.160   0.022  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.976   0.892   0.066  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.334   0.764   0.483  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.757  -0.498   0.843  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1       -0.055  -1.559   0.819  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.538   2.207  -0.343  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.853   2.436  -0.152  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.462   3.633  -0.502  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.886   3.783  -0.249  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.760   4.685  -1.081  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.238   5.769  -1.402  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.315   4.434  -1.320  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -0.760   3.267  -0.971  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.052  -0.742   1.297  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        2.078  -1.736   1.528  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.146  -0.399   0.379  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1        4.486  -0.416   1.102  0.00  0.00    -0.024 A 
ATOM     19  C   LIG    1        5.655  -0.402   0.313  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1        6.915  -0.363   0.920  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        7.021  -0.346   2.310  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.872  -0.349   3.097  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.510  -0.365  -1.185  0.00  0.00    +0.035 C 
ATOM     24  C   LIG    1        4.452  -1.359  -1.656  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1        4.611  -0.374   2.498  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.173  -1.388  -0.807  0.00  0.00    +0.027 C 
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  27
ATOM     27  O   LIG    1       -2.126  -2.469   0.403  0.00  0.00    -0.420 OA
BRANCH  27  30
ATOM     28  C   LIG    1       -4.580  -2.442   1.848  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -4.520  -2.385   0.349  0.00  0.00    -0.005 A 
ATOM     30  C   LIG    1       -3.289  -2.374  -0.324  0.00  0.00    +0.170 A 
ATOM     31  C   LIG    1       -3.249  -2.338  -1.720  0.00  0.00    +0.166 A 
ATOM     32  F   LIG    1       -2.074  -2.374  -2.366  0.00  0.00    -0.202 F 
ATOM     33  C   LIG    1       -4.423  -2.271  -2.462  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.651  -2.254  -1.804  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -5.700  -2.312  -0.407  0.00  0.00    +0.007 A 
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 5