REMARK  Name = BDB032545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.885   1.008  -0.231  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1       -3.207   2.203  -0.038  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.666   3.329  -0.015  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.791   1.864   0.137  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.707   2.708   0.298  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        0.548   2.115   0.453  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        0.680   0.716   0.447  0.00  0.00    +0.163 A 
ATOM      8  O   LIG    1        1.948   0.225   0.632  0.00  0.00    -0.479 OA
ATOM      9  C   LIG    1        1.931  -1.177   0.968  0.00  0.00    +0.236 C 
ATOM     10  C   LIG    1        0.990  -1.921   0.024  0.00  0.00    +0.276 C 
ATOM     11  O   LIG    1       -0.364  -1.480   0.215  0.00  0.00    -0.484 OA
ATOM     12  C   LIG    1       -0.436  -0.115   0.258  0.00  0.00    +0.167 A 
ATOM     13  C   LIG    1       -1.675   0.475   0.117  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -3.014  -0.151  -0.060  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  21
ATOM     15  O   LIG    1       -8.979  -0.904   0.434  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -7.938  -0.286   0.226  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -7.196   0.218   1.264  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -7.529  -0.034   2.184  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -5.865   0.568   1.208  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -5.184   0.572   2.231  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -5.340   0.931  -0.191  0.00  0.00    +0.163 C 
ATOM     22  C   LIG    1       -5.899  -0.064  -1.205  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -7.419  -0.022  -1.168  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
BRANCH   9  24
ATOM     24  C   LIG    1        3.365  -1.712   0.897  0.00  0.00    +0.208 C 
BRANCH  24  25
ATOM     25  O   LIG    1        3.795  -1.808  -0.465  0.00  0.00    -0.371 OA
BRANCH  25  26
ATOM     26  C   LIG    1        5.182  -2.133  -0.586  0.00  0.00    +0.195 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.077  -0.934  -0.384  0.00  0.00    -0.022 A 
ATOM     28  C   LIG    1        5.700   0.335  -0.845  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        6.546   1.433  -0.677  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.783   1.271  -0.057  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.176   0.012   0.393  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.331  -1.086   0.227  0.00  0.00    +0.006 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 5