REMARK  Name = BDB046529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.276  -1.544   0.223  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1        2.156  -2.733  -0.551  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        0.933  -3.025  -1.175  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.790  -4.148  -1.993  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.862  -5.016  -2.180  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.079  -4.749  -1.560  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1       -0.170  -2.219  -1.089  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1       -0.177  -1.414   0.081  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1        3.228  -3.612  -0.756  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        1.157  -0.732   0.417  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1        1.226   0.396   0.908  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        3.571  -1.024   0.647  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.262  -0.234  -0.470  0.00  0.00    +0.020 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.318   0.747   0.052  0.00  0.00    +0.009 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.722   1.993   0.715  0.00  0.00    +0.074 C 
BRANCH  15  17
ATOM     16  C   LIG    1        2.902   3.766   0.308  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        3.990   2.896  -0.264  0.00  0.00    +0.130 C 
ATOM     18  O   LIG    1        4.299   2.960  -1.454  0.00  0.00    -0.298 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  19
ATOM     19  C   LIG    1       -1.294  -0.374  -0.055  0.00  0.00    +0.095 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.653  -1.019  -0.316  0.00  0.00    +0.233 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.676  -0.027  -0.398  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.277   0.424   0.746  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -5.243   1.432   0.561  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -5.913   1.965   1.674  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -5.634   1.499   2.956  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.680   0.503   3.138  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.003  -0.032   2.038  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -5.548   1.966  -0.822  0.00  0.00    +0.159 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.462   2.857  -1.374  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1       -3.603   3.470  -0.762  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -4.554   2.994  -2.716  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -3.802   3.583  -2.933  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   8  19
TORSDOF 12