REMARK  Name = BDB019788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.886  -0.932   0.446  0.00  0.00    -0.304 N 
ATOM      2  H   LIG    1       -1.014   0.009   0.083  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.391  -1.266   0.836  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1        0.717  -2.369   1.260  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.387  -0.155   0.697  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.917   1.016   0.185  0.00  0.00    -0.250 NA
ATOM      7  C   LIG    1        1.814   2.015   0.064  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        3.149   1.905   0.426  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        3.622   0.690   0.936  0.00  0.00    -0.027 A 
ATOM     10  C   LIG    1        2.707  -0.359   1.083  0.00  0.00    +0.038 A 
BRANCH   9  11
ATOM     11  C   LIG    1        5.054   0.500   1.376  0.00  0.00    +0.138 C 
BRANCH  11  12
ATOM     12  N   LIG    1        5.989   1.186   0.518  0.00  0.00    -0.329 N 
ATOM     13  H   LIG    1        6.146   2.167   0.719  0.00  0.00    +0.147 HD
BRANCH  12  14
ATOM     14  C   LIG    1        6.319   0.840  -0.757  0.00  0.00    +0.090 C 
ATOM     15  C   LIG    1        6.073  -0.526  -1.333  0.00  0.00    +0.073 C 
ATOM     16  C   LIG    1        6.172  -0.195  -2.802  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1        7.139   0.972  -2.810  0.00  0.00    +0.143 C 
ATOM     18  N   LIG    1        6.902   1.695  -1.545  0.00  0.00    -0.273 NA
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  C   LIG    1       -1.988  -1.871   0.442  0.00  0.00    +0.101 C 
ATOM     20  C   LIG    1       -1.899  -2.827  -0.752  0.00  0.00    +0.033 C 
BRANCH  19  23
ATOM     21  C   LIG    1       -4.963   0.340  -0.556  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -3.753  -0.359  -0.610  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1       -3.304  -1.120   0.479  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1       -4.096  -1.151   1.636  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1       -5.308  -0.458   1.703  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -5.742   0.286   0.603  0.00  0.00    +0.091 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -6.488   1.759  -1.711  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -5.266   1.033  -1.698  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
BRANCH  25  29
ATOM     29  O   LIG    1       -5.968  -0.590   2.896  0.00  0.00    -0.495 OA
ATOM     30  C   LIG    1       -7.207   0.094   3.031  0.00  0.00    +0.277 C 
ENDBRANCH  25  29
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8