REMARK  Name = BDB036254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.080  -0.945   0.435  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.792   0.392   0.035  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.711   0.573  -0.805  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.639   1.917  -1.082  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1       -1.666   2.503  -0.370  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        0.103  -0.489  -1.256  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.185  -1.709  -0.893  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.374   1.542   0.317  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -1.262  -1.903  -0.053  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -5.020  -2.886   4.074  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -4.461  -2.175   2.900  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -5.251  -1.425   2.128  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -4.422  -0.919   1.186  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -5.008  -0.088   0.158  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -3.120  -1.347   1.325  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -3.129  -2.168   2.438  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  N   LIG    1        1.176  -0.192  -2.075  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.523   0.758  -2.026  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.231  -1.154  -2.335  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.311  -1.029  -1.294  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1        4.375  -0.141  -1.426  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.739   0.763  -2.544  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        5.805   1.606  -1.845  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        6.342   0.859  -0.731  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        5.352  -0.046  -0.443  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        5.321  -0.812   0.703  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        4.253  -1.692   0.869  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        3.255  -1.794  -0.115  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   5  29
ATOM     29  C   LIG    1       -2.035   3.944  -0.272  0.00  0.00    +0.135 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -0.988   4.648   0.467  0.00  0.00    -0.325 NA
ATOM     31  H   LIG    1       -1.303   5.599   0.645  0.00  0.00    +0.119 HD
ATOM     32  H   LIG    1       -0.907   4.207   1.384  0.00  0.00    +0.119 HD
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 6