REMARK  Name = BDB047987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.147   2.954   0.774  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1       -1.032   1.866   0.619  0.00  0.00    +0.125 A 
ATOM      3  C   LIG    1       -1.648   1.310   1.746  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.409   1.835   3.018  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.557   2.923   3.176  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.063   3.484   2.061  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.521   3.571  -0.440  0.00  0.00    +0.146 C 
BRANCH   7   9
ATOM      8  C   LIG    1        1.927   5.611  -0.207  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1        1.840   4.162  -0.175  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1        3.024   3.428  -0.110  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        4.144   3.928  -0.026  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1        2.942   1.955  -0.141  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        2.760   1.250   1.049  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        2.664  -0.144   1.015  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.769  -0.847  -0.198  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        2.988  -0.114  -1.379  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        3.080   1.281  -1.354  0.00  0.00    +0.014 A 
BRANCH  15  18
ATOM     18  C   LIG    1        2.629  -2.302  -0.227  0.00  0.00    +0.135 A 
ATOM     19  O   LIG    1        2.688  -2.896  -1.460  0.00  0.00    -0.463 OA
ATOM     20  C   LIG    1        2.518  -4.230  -1.279  0.00  0.00    +0.196 A 
ATOM     21  C   LIG    1        2.354  -4.516   0.055  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        2.425  -3.274   0.734  0.00  0.00    +0.050 A 
ENDBRANCH  15  18
ENDBRANCH  10  12
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   2  23
ATOM     23  O   LIG    1       -1.232   1.444  -0.669  0.00  0.00    -0.492 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -1.908   0.206  -0.907  0.00  0.00    +0.229 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -0.938  -0.966  -0.760  0.00  0.00    +0.041 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.585  -2.329  -1.012  0.00  0.00    +0.007 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.527  -2.734   0.089  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -4.034  -2.776  -0.081  0.00  0.00    +0.101 C 
ATOM     29  C   LIG    1       -3.238  -4.056  -0.015  0.00  0.00    +0.019 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -4.697  -2.353  -1.328  0.00  0.00    +0.308 C 
ATOM     31  O   LIG    1       -4.765  -1.194  -1.701  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -5.265  -3.364  -2.011  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -5.674  -2.926  -2.786  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 11