REMARK  Name = BDB050659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.882   0.137  -0.958  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1        1.896   0.477  -1.893  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        0.541   0.303  -1.591  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.161  -0.199  -0.346  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.146  -0.530   0.590  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        2.502  -0.356   0.294  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        4.307   0.374  -1.312  0.00  0.00    +0.197 C 
ATOM      8  O   LIG    1        4.570   1.342  -2.023  0.00  0.00    -0.287 OA
BRANCH   7  10
ATOM      9  C   LIG    1        6.596  -0.111  -0.395  0.00  0.00    +0.117 A 
ATOM     10  C   LIG    1        5.333  -0.519  -0.801  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1        5.311  -1.943  -0.629  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        6.548  -2.281  -0.093  0.00  0.00    +0.136 A 
ATOM     13  C   LIG    1        6.937  -3.577   0.237  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        6.007  -4.591  -0.007  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        4.758  -4.303  -0.559  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.396  -2.986  -0.880  0.00  0.00    +0.012 A 
ATOM     17  O   LIG    1        7.320  -1.175   0.053  0.00  0.00    -0.459 OA
BRANCH   9  18
ATOM     18  C   LIG    1        7.291   1.205  -0.333  0.00  0.00    +0.075 C 
BRANCH  18  19
ATOM     19  C   LIG    1        7.256   1.826   1.066  0.00  0.00    +0.007 C 
BRANCH  19  21
ATOM     20  C   LIG    1        5.889   2.994   2.833  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        5.858   2.288   1.486  0.00  0.00    -0.003 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   9  18
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  O   LIG    1       -1.122  -0.410   0.078  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.171   0.045  -0.772  0.00  0.00    +0.227 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.486  -0.200  -0.031  0.00  0.00    +0.023 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.673   0.263  -0.870  0.00  0.00    -0.072 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -6.066   0.145  -0.147  0.00  0.00    +0.380 N 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.092   0.975   1.158  0.00  0.00    -0.079 C 
ATOM     28  C   LIG    1       -5.661   2.422   0.968  0.00  0.00    -0.016 C 
ENDBRANCH  26  27
BRANCH  26  29
ATOM     29  C   LIG    1       -6.272  -1.363   0.189  0.00  0.00    -0.079 C 
ATOM     30  C   LIG    1       -7.657  -1.735   0.681  0.00  0.00    -0.016 C 
ENDBRANCH  26  29
BRANCH  26  31
ATOM     31  C   LIG    1       -7.113   0.628  -1.200  0.00  0.00    -0.079 C 
ATOM     32  C   LIG    1       -8.436   1.134  -0.641  0.00  0.00    -0.016 C 
ENDBRANCH  26  31
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 13