REMARK  Name = BDB001369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.705  -0.361   1.896  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.827   0.207   1.275  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -1.624   0.250  -0.089  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.402   0.976  -0.464  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1        0.018   1.553   0.880  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        0.994   2.490   1.202  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.168   2.844   2.546  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        0.360   2.283   3.550  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.647   1.377   3.223  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.795   1.042   1.889  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.720   2.072  -1.496  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.643   3.095  -1.194  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -1.943   4.096  -2.121  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -1.331   4.093  -3.371  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -0.424   3.088  -3.696  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -0.123   2.087  -2.770  0.00  0.00    +0.008 A 
ENDBRANCH   4  11
BRANCH   3  17
ATOM     17  C   LIG    1       -2.436  -0.498  -1.031  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.974  -1.921  -1.244  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -2.258  -2.914  -0.294  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -1.825  -4.227  -0.487  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -1.103  -4.562  -1.630  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -0.812  -3.585  -2.581  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -1.246  -2.272  -2.389  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH   3  17
BRANCH   4  24
ATOM     24  O   LIG    1        0.456  -0.020  -1.020  0.00  0.00    -0.343 OA
BRANCH  24  25
ATOM     25  C   LIG    1        1.850   0.031  -0.765  0.00  0.00    +0.198 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.235  -0.699   0.499  0.00  0.00    -0.022 A 
ATOM     27  C   LIG    1        1.553  -1.857   0.901  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        1.913  -2.530   2.070  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        2.973  -2.053   2.832  0.00  0.00    +0.117 A 
ATOM     30  C   LIG    1        3.679  -0.922   2.441  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1        3.315  -0.249   1.273  0.00  0.00    +0.009 A 
BRANCH  29  32
ATOM     32  O   LIG    1        3.357  -2.677   3.982  0.00  0.00    -0.507 OA
ATOM     33  H   LIG    1        2.756  -3.424   4.138  0.00  0.00    +0.292 HD
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 7