REMARK  Name = BDB049368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.106  -1.290  -0.557  0.00  0.00    +0.022 A 
ATOM      2  N   LIG    1       -0.881  -0.143  -0.609  0.00  0.00    -0.341 N 
ATOM      3  C   LIG    1       -2.208  -0.460  -0.379  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -2.274  -1.840  -0.213  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -3.423  -2.513   0.026  0.00  0.00    -0.245 NA
ATOM      6  C   LIG    1       -4.538  -1.755   0.095  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1       -4.554  -0.369  -0.049  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -3.366   0.318  -0.294  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -0.966  -2.351  -0.333  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -5.768  -2.481   0.348  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1       -5.887  -3.529   1.236  0.00  0.00    +0.144 A 
ATOM     12  C   LIG    1       -4.955  -4.231   2.142  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1       -7.172  -3.973   1.241  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1       -7.923  -3.232   0.350  0.00  0.00    -0.083 NA
ATOM     15  C   LIG    1       -7.074  -2.353  -0.199  0.00  0.00    +0.090 A 
ATOM     16  C   LIG    1       -7.564  -1.428  -1.248  0.00  0.00    +0.070 C 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  C   LIG    1        1.387  -1.324  -0.713  0.00  0.00    +0.058 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.087  -1.568   0.629  0.00  0.00    +0.041 C 
BRANCH  18  22
ATOM     19  C   LIG    1        6.346  -0.898   0.294  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        5.524   0.077   0.858  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        4.146  -0.145   0.973  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        3.576  -1.344   0.527  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1        4.405  -2.317  -0.040  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        5.779  -2.092  -0.154  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1        8.331   0.374   0.597  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        7.700  -0.808   0.122  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   2  27
ATOM     27  C   LIG    1       -0.399   1.208  -0.880  0.00  0.00    +0.137 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.090   1.909   0.396  0.00  0.00    +0.106 C 
BRANCH  28  29
ATOM     29  N   LIG    1        0.726   3.222   0.231  0.00  0.00    -0.296 NA
ATOM     30  C   LIG    1        1.971   3.213  -0.556  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1        1.845   3.925  -1.913  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1        1.402   5.284  -1.808  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1        0.581   5.530  -0.658  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1       -0.195   4.284  -0.204  0.00  0.00    +0.112 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 8