REMARK  Name = BDB008555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.596  -2.409  -0.354  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -1.914  -3.867   0.000  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        1.617  -0.585  -1.359  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        0.282  -0.989  -1.271  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.117  -2.040  -0.425  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        0.863  -2.673   0.348  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        2.209  -2.288   0.266  0.00  0.00    -0.047 A 
ATOM      8  C   LIG    1        3.235  -2.952   1.138  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        2.576  -1.234  -0.583  0.00  0.00    +0.049 A 
BRANCH   3  10
ATOM     10  O   LIG    1        1.835   0.459  -2.215  0.00  0.00    -0.492 OA
BRANCH  10  11
ATOM     11  C   LIG    1        3.181   0.852  -2.492  0.00  0.00    +0.231 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.636   1.919  -1.499  0.00  0.00    +0.069 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.085   2.334  -1.726  0.00  0.00    +0.163 C 
BRANCH  13  15
ATOM     14  C   LIG    1        4.885   4.097  -3.309  0.00  0.00    +0.193 C 
ATOM     15  O   LIG    1        5.326   2.768  -3.062  0.00  0.00    -0.383 OA
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  N   LIG    1       -2.350  -1.436   0.468  0.00  0.00    -0.289 N 
ATOM     17  C   LIG    1       -2.069  -1.343   1.837  0.00  0.00    +0.246 C 
ATOM     18  O   LIG    1       -1.434  -2.217   2.441  0.00  0.00    -0.273 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -2.450  -0.054   2.606  0.00  0.00    +0.217 C 
ATOM     20  O   LIG    1       -3.774   0.444   2.412  0.00  0.00    -0.365 OA
ATOM     21  C   LIG    1       -3.994   1.625   3.192  0.00  0.00    +0.176 C 
ATOM     22  C   LIG    1       -2.994   2.727   2.821  0.00  0.00    +0.109 C 
ATOM     23  N   LIG    1       -1.606   2.284   3.019  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -0.965   2.994   2.667  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -1.390   1.024   2.278  0.00  0.00    +0.122 C 
ENDBRANCH  17  19
BRANCH  16  26
ATOM     26  C   LIG    1       -3.248  -0.541  -0.231  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1       -4.742  -0.626  -0.028  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -4.160  -1.010  -1.345  0.00  0.00    +0.024 C 
ENDBRANCH  16  26
ENDBRANCH   1  16
TORSDOF 9