REMARK  Name = BDB008654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.644  -0.236  -0.302  0.00  0.00    -0.345 N 
ATOM      2  C   LIG    1       -0.994  -0.418  -1.508  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        0.342  -0.064  -1.273  0.00  0.00    +0.094 A 
ATOM      4  N   LIG    1        1.307  -0.105  -2.222  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1        0.907  -0.530  -3.429  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1       -0.386  -0.904  -3.754  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        0.493   0.328   0.086  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -1.404  -0.849  -2.789  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -2.792  -1.268  -3.176  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1       -0.765   0.227   0.650  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        1.782   0.786   0.723  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1        1.558   1.902   1.755  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1        2.553  -0.342   1.316  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1        3.938  -0.243   1.518  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1        4.515  -0.868   2.419  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1        4.804   0.589   0.544  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1        4.451   1.972   0.455  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1        5.306   2.668  -0.461  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1        5.291   2.019  -1.853  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1        5.705   0.606  -1.807  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1        6.667   0.556  -1.470  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1        4.833  -0.098  -0.839  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1        1.820  -1.269   2.172  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1        2.261  -2.705   2.354  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        1.015  -2.409   1.591  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   7  11
BRANCH   1  26
ATOM     26  C   LIG    1       -3.046  -0.487  -0.002  0.00  0.00    +0.122 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.909   0.755  -0.214  0.00  0.00    +0.024 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.404   0.472  -0.078  0.00  0.00    +0.030 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.828   0.078   1.333  0.00  0.00    +0.159 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -7.728  -0.456   2.622  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1       -7.242  -0.109   1.332  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9