REMARK  Name = BDB013026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.409   0.245   0.034  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.784  -0.339  -1.106  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.424  -0.183  -1.229  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.089  -0.805  -2.397  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.159  -1.334  -2.945  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.366   0.499  -0.294  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.209   1.034   0.749  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.231  -1.036  -2.134  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.576   0.889   0.883  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.467   2.694   0.596  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        4.729   1.233   0.544  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        3.820   0.171   0.289  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.587  -0.981   0.329  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        4.237  -2.413   0.144  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1        5.868  -0.552   0.573  0.00  0.00    -0.271 N 
ATOM     16  C   LIG    1        7.060  -1.363   0.669  0.00  0.00    +0.172 C 
ATOM     17  N   LIG    1        5.969   0.777   0.749  0.00  0.00    -0.176 NA
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  N   LIG    1       -1.725   0.588  -0.499  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.178  -0.050  -1.143  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.609   1.149   0.503  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.029   1.054   0.012  0.00  0.00    -0.024 A 
ATOM     22  C   LIG    1       -4.836  -0.047   0.285  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.541  -1.292   1.036  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.959  -1.851   1.157  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.776  -1.293   0.103  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -6.120  -0.138  -0.237  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.657   0.841  -1.045  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -5.870   1.957  -1.329  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.569   2.061  -0.809  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4