REMARK  Name = BDB037013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.389  -2.747  -0.593  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -0.793  -1.568  -1.203  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -1.780  -0.577  -0.775  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -1.816   0.394  -1.737  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -0.865   0.176  -2.697  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -0.551   0.885  -3.634  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -2.402  -0.639   0.271  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -0.225  -1.096  -2.376  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        0.780  -1.776  -3.030  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.201  -2.979  -2.460  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        0.619  -3.458  -1.263  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.584   1.620  -1.588  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -1.675   2.719  -1.022  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -0.709   2.495  -0.291  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -2.055   4.014  -1.304  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -1.483   4.746  -0.902  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -3.162   4.436  -1.999  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -3.434   5.631  -2.091  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.057   3.359  -2.568  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -3.267   2.094  -2.868  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1       -1.000  -3.220   0.578  0.00  0.00    -0.338 N 
ATOM     22  H   LIG    1       -1.674  -2.530   0.931  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -0.096  -3.623   1.668  0.00  0.00    +0.160 C 
BRANCH  23  27
ATOM     24  N   LIG    1        1.710  -0.767   3.007  0.00  0.00    -0.249 N 
ATOM     25  N   LIG    1        2.636  -1.739   3.072  0.00  0.00    -0.065 NA
ATOM     26  N   LIG    1        2.081  -2.850   2.610  0.00  0.00    -0.133 NA
ATOM     27  C   LIG    1        0.789  -2.567   2.250  0.00  0.00    +0.100 A 
ATOM     28  C   LIG    1        0.533  -1.237   2.507  0.00  0.00    +0.135 A 
BRANCH  24  29
ATOM     29  C   LIG    1        2.026   0.585   3.419  0.00  0.00    +0.173 C 
BRANCH  29  30
ATOM     30  C   LIG    1        2.900   1.312   2.399  0.00  0.00    +0.182 C 
BRANCH  30  32
ATOM     31  C   LIG    1        5.094   0.559   2.951  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1        4.186   1.657   2.925  0.00  0.00    -0.381 OA
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 7