REMARK  Name = BDB008616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.349   0.582  -0.658  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        2.348   1.886  -1.182  0.00  0.00    +0.086 A 
ATOM      3  C   LIG    1        1.357   2.765  -0.794  0.00  0.00    +0.171 A 
ATOM      4  O   LIG    1        1.536   3.957  -1.423  0.00  0.00    -0.354 OA
ATOM      5  N   LIG    1        2.654   3.888  -2.240  0.00  0.00    -0.082 NA
ATOM      6  C   LIG    1        0.341   2.460   0.106  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        0.343   1.168   0.665  0.00  0.00    -0.020 A 
ATOM      8  C   LIG    1        3.130   2.643  -2.093  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        4.333   2.209  -2.837  0.00  0.00    +0.070 C 
ATOM     10  C   LIG    1        1.344   0.253   0.274  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -0.756   0.802   1.665  0.00  0.00    +0.104 C 
ATOM     12  C   LIG    1       -0.441  -0.355   2.627  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.075   0.623   1.012  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -2.243  -0.456   0.130  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -1.303  -1.205  -0.172  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -3.651  -0.812  -0.412  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -4.484   0.278  -0.804  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -5.886   0.004  -0.692  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -6.230  -1.476  -0.897  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -5.591  -2.357   0.092  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -6.220  -2.522   0.877  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.334  -1.765   0.596  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -3.178   1.433   1.494  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -3.049   2.855   1.994  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -3.693   2.592   0.674  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   7  11
BRANCH   1  26
ATOM     26  O   LIG    1        3.338  -0.268  -1.075  0.00  0.00    -0.491 OA
BRANCH  26  27
ATOM     27  C   LIG    1        3.085  -1.667  -0.919  0.00  0.00    +0.231 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.140  -2.441  -1.707  0.00  0.00    +0.069 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.545  -2.243  -1.148  0.00  0.00    +0.163 C 
BRANCH  29  31
ATOM     30  C   LIG    1        6.895  -2.630   0.743  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        5.613  -2.815   0.158  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9