REMARK  Name = BDB030634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.205   0.303  -1.329  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.965   0.803  -0.767  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        1.986   1.363  -1.636  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1        3.100   1.752  -0.721  0.00  0.00    +0.022 C 
ATOM      5  C   LIG    1        3.821   0.723   0.118  0.00  0.00    +0.068 C 
ATOM      6  C   LIG    1        2.658   1.504   0.680  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1        1.270   0.947   0.653  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1       -0.334   0.276  -2.556  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -3.251  -1.093   0.178  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -2.463  -0.739   1.237  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -2.669  -0.837   2.226  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1       -1.286  -0.202   0.886  0.00  0.00    -0.169 NA
ATOM     13  C   LIG    1       -1.295  -0.201  -0.461  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1       -2.519  -0.754  -0.938  0.00  0.00    +0.057 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -5.574  -0.769   1.042  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -4.607  -1.710   0.322  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1       -4.532  -3.062   1.032  0.00  0.00    +0.014 C 
ENDBRANCH   9  16
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  C   LIG    1        5.244   1.044   0.629  0.00  0.00    +0.152 A 
ATOM     19  N   LIG    1        6.385   1.042  -0.115  0.00  0.00    -0.242 N 
ATOM     20  H   LIG    1        6.523   0.846  -1.097  0.00  0.00    +0.192 HD
ATOM     21  N   LIG    1        7.431   1.361   0.658  0.00  0.00    -0.047 NA
ATOM     22  N   LIG    1        6.920   1.551   1.868  0.00  0.00    -0.023 NA
ATOM     23  N   LIG    1        5.558   1.355   1.866  0.00  0.00    -0.113 NA
ENDBRANCH   5  18
TORSDOF 3