REMARK  Name = BDB063227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.151   0.901   0.423  0.00  0.00    -0.309 N 
ATOM      2  C   LIG    1        3.546   0.962   1.774  0.00  0.00    +0.276 A 
ATOM      3  O   LIG    1        4.694   1.170   2.155  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1        2.454   0.755   2.694  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1        1.147   0.527   2.326  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        0.377   0.390   3.499  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        1.248   0.530   4.563  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1        0.819   0.485   0.932  0.00  0.00    +0.011 A 
ATOM      9  N   LIG    1        2.509   0.753   4.062  0.00  0.00    -0.356 N 
ATOM     10  H   LIG    1        3.353   0.901   4.601  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1        1.821   0.668   0.040  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -0.534   0.207   0.394  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -1.291   1.176  -0.290  0.00  0.00    +0.128 A 
ATOM     14  C   LIG    1       -2.562   0.836  -0.771  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1       -3.114  -0.451  -0.579  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1       -2.341  -1.401   0.100  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -1.071  -1.076   0.581  0.00  0.00    +0.012 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -4.504  -0.759  -1.134  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -5.180  -1.998  -0.532  0.00  0.00    +0.046 C 
ATOM     20  C   LIG    1       -4.450  -0.899  -2.659  0.00  0.00    +0.046 C 
BRANCH  18  21
ATOM     21  O   LIG    1       -5.368   0.346  -0.833  0.00  0.00    -0.385 OA
ATOM     22  H   LIG    1       -5.223   0.570   0.103  0.00  0.00    +0.211 HD
ENDBRANCH  18  21
ENDBRANCH  15  18
BRANCH  13  23
ATOM     23  O   LIG    1       -0.710   2.409  -0.443  0.00  0.00    -0.494 OA
ATOM     24  C   LIG    1       -1.505   3.448  -1.000  0.00  0.00    +0.277 C 
ENDBRANCH  13  23
ENDBRANCH   8  12
BRANCH   1  25
ATOM     25  C   LIG    1        4.164   1.091  -0.606  0.00  0.00    +0.152 C 
BRANCH  25  28
ATOM     26  C   LIG    1        5.003  -2.682  -1.399  0.00  0.00    +0.035 C 
ATOM     27  C   LIG    1        4.423  -1.459  -0.764  0.00  0.00    -0.033 C 
ATOM     28  C   LIG    1        4.684  -0.206  -1.174  0.00  0.00    -0.010 C 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 6