REMARK  Name = BDB064417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.588  -0.241   2.370  0.00  0.00    +0.231 C 
ATOM      2  N   LIG    1        0.617  -0.611   1.813  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.589  -1.031   0.894  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.659   0.497   3.354  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1       -1.888  -0.812   0.175  0.00  0.00    +0.026 C 
ATOM      6  C   LIG    1       -3.005   0.187  -0.184  0.00  0.00    +0.077 C 
ATOM      7  C   LIG    1       -3.303   0.935   1.114  0.00  0.00    +0.062 C 
ATOM      8  C   LIG    1       -2.497   2.213   1.353  0.00  0.00    +0.024 C 
ATOM      9  N   LIG    1       -3.058  -0.091   2.136  0.00  0.00    -0.302 NA
ATOM     10  H   LIG    1       -2.849   0.345   3.043  0.00  0.00    +0.123 HD
ATOM     11  C   LIG    1       -1.857  -0.857   1.715  0.00  0.00    +0.144 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -2.656   1.125  -1.338  0.00  0.00    +0.135 C 
ATOM     13  O   LIG    1       -1.493   1.362  -1.676  0.00  0.00    -0.297 OA
ATOM     14  C   LIG    1       -3.815   1.776  -2.048  0.00  0.00    +0.086 C 
ENDBRANCH   6  12
BRANCH   5  16
ATOM     15  C   LIG    1       -2.087  -2.235  -1.938  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -2.130  -2.213  -0.417  0.00  0.00    +0.003 C 
ENDBRANCH   5  16
ENDBRANCH   1  11
BRANCH   2  17
ATOM     17  C   LIG    1        1.766   0.243   2.030  0.00  0.00    +0.144 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.933  -0.201   1.178  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        3.019   0.149  -0.222  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        4.186  -0.251  -0.933  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1        4.343   0.059  -2.295  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        3.362   0.752  -2.998  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        2.204   1.144  -2.347  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        5.201  -0.970  -0.290  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        5.083  -1.339   1.043  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        2.038   0.849  -0.991  0.00  0.00    +0.125 A 
ATOM     27  C   LIG    1        3.952  -0.978   1.758  0.00  0.00    +0.122 A 
BRANCH  26  28
ATOM     28  O   LIG    1        0.864   1.249  -0.408  0.00  0.00    -0.506 OA
ATOM     29  H   LIG    1        0.197   1.467  -1.096  0.00  0.00    +0.292 HD
ENDBRANCH  26  28
BRANCH  27  30
ATOM     30  O   LIG    1        3.901  -1.440   3.045  0.00  0.00    -0.506 OA
ATOM     31  H   LIG    1        2.970  -1.546   3.306  0.00  0.00    +0.292 HD
ENDBRANCH  27  30
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 7