REMARK  Name = BDB008633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.950   0.018   0.050  0.00  0.00    -0.246 N 
ATOM      2  C   LIG    1        1.453   0.418  -1.159  0.00  0.00    +0.159 A 
ATOM      3  C   LIG    1        0.097   0.132  -1.119  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -0.670   0.445  -2.252  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -0.006   1.021  -3.336  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        1.362   1.254  -3.246  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1       -0.122  -0.435   0.170  0.00  0.00    +0.092 A 
ATOM      8  N   LIG    1        2.143   0.971  -2.178  0.00  0.00    -0.236 NA
ATOM      9  N   LIG    1        1.023  -0.517   0.874  0.00  0.00    -0.172 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -1.442  -0.920   0.730  0.00  0.00    +0.124 C 
ATOM     11  C   LIG    1       -1.302  -1.902   1.899  0.00  0.00    +0.035 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -2.350   0.209   1.070  0.00  0.00    -0.288 N 
ATOM     13  C   LIG    1       -3.728   0.203   0.815  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -4.431   1.200   1.018  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -4.361  -1.077   0.217  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -4.024  -1.266  -1.166  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -4.724  -0.345  -2.016  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -6.245  -0.461  -1.846  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -6.666  -0.226  -0.457  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -6.413   0.735  -0.196  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.895  -1.122   0.429  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -1.770   1.439   1.588  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -0.846   1.508   2.776  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -2.241   2.028   2.897  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  25
ATOM     25  C   LIG    1        3.332   0.117   0.480  0.00  0.00    +0.146 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.139  -1.119   0.085  0.00  0.00    +0.026 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.593  -1.057   0.550  0.00  0.00    +0.030 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.418   0.003  -0.174  0.00  0.00    +0.159 C 
BRANCH  28  30
ATOM     29  C   LIG    1        8.606   0.863  -0.341  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        7.761  -0.083   0.301  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9