REMARK  Name = BDB001359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.932  -1.708   0.439  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -2.787  -0.574   0.049  0.00  0.00    -0.257 N 
ATOM      3  C   LIG    1       -3.647  -0.879  -0.990  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -4.518  -0.186  -1.481  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -3.333  -2.234  -1.432  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -3.889  -2.948  -2.479  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -3.383  -4.223  -2.728  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.343  -4.742  -1.937  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -1.799  -3.996  -0.884  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -2.314  -2.731  -0.626  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -2.247  -2.297   1.830  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -3.473  -2.051   2.479  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -3.762  -2.615   3.725  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -2.842  -3.457   4.342  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -1.639  -3.748   3.707  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -1.351  -3.184   2.461  0.00  0.00    +0.008 A 
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  O   LIG    1       -0.569  -1.404   0.150  0.00  0.00    -0.343 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.191  -0.738   1.150  0.00  0.00    +0.198 C 
BRANCH  18  22
ATOM     19  C   LIG    1        3.473   1.528  -0.618  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1        2.905   1.884   0.620  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        1.855   1.151   1.183  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        1.322   0.041   0.520  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1        1.895  -0.339  -0.698  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        2.947   0.395  -1.260  0.00  0.00    +0.004 A 
BRANCH  19  26
ATOM     25  C   LIG    1        5.804   2.413  -0.244  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        4.607   2.374  -1.219  0.00  0.00    -0.013 C 
ATOM     27  C   LIG    1        5.136   1.839  -2.569  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1        4.101   3.812  -1.463  0.00  0.00    +0.015 C 
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   2  29
ATOM     29  C   LIG    1       -2.823   0.719   0.709  0.00  0.00    +0.146 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.899   1.779   0.152  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1       -1.575   2.882   0.962  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -0.744   3.900   0.490  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.230   3.834  -0.802  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -0.555   2.758  -1.623  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -1.392   1.742  -1.153  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 7