REMARK  Name = BDB065375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.481   0.786   1.395  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -2.732   1.059   0.242  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -1.457   0.509   0.071  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -0.901  -0.327   1.048  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.653  -0.597   2.200  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.928  -0.049   2.373  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.420  -0.916   0.900  0.00  0.00    +0.113 A 
ATOM      8  N   LIG    1        0.992  -1.751   1.831  0.00  0.00    -0.130 NA
ATOM      9  N   LIG    1        2.191  -2.108   1.392  0.00  0.00    -0.065 NA
ATOM     10  N   LIG    1        2.377  -1.506   0.206  0.00  0.00    -0.251 N 
ATOM     11  C   LIG    1        1.298  -0.752  -0.148  0.00  0.00    +0.138 A 
BRANCH  10  12
ATOM     12  C   LIG    1        3.607  -1.700  -0.528  0.00  0.00    +0.145 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.733  -0.806  -0.007  0.00  0.00    +0.023 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.013  -1.004  -0.820  0.00  0.00    +0.002 C 
BRANCH  14  15
ATOM     15  C   LIG    1        7.222  -0.245  -0.260  0.00  0.00    +0.011 C 
BRANCH  15  16
ATOM     16  C   LIG    1        7.082   1.278  -0.222  0.00  0.00    +0.120 C 
BRANCH  16  17
ATOM     17  C   LIG    1        7.029   1.904  -1.590  0.00  0.00    +0.305 C 
ATOM     18  O   LIG    1        7.214   1.362  -2.666  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1        6.753   3.222  -1.526  0.00  0.00    -0.481 OA
ATOM     20  H   LIG    1        6.766   3.517  -2.460  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1       -4.864   1.373   1.567  0.00  0.00    +0.161 C 
BRANCH  21  26
ATOM     22  C   LIG    1       -7.622  -0.350  -1.008  0.00  0.00    +0.123 A 
ATOM     23  N   LIG    1       -7.150   0.818  -1.309  0.00  0.00    -0.178 NA
ATOM     24  C   LIG    1       -6.229   1.419  -0.483  0.00  0.00    +0.350 A 
ATOM     25  O   LIG    1       -5.760   2.519  -0.770  0.00  0.00    -0.244 OA
ATOM     26  N   LIG    1       -5.851   0.751   0.686  0.00  0.00    -0.295 N 
ATOM     27  C   LIG    1       -6.351  -0.494   0.996  0.00  0.00    +0.094 A 
ATOM     28  C   LIG    1       -7.231  -1.099   0.202  0.00  0.00    +0.061 A 
BRANCH  22  29
ATOM     29  N   LIG    1       -8.534  -0.891  -1.872  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1       -8.879  -0.201  -2.533  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -9.273  -1.451  -1.465  0.00  0.00    +0.144 HD
ENDBRANCH  22  29
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 11