REMARK  Name = BDB014862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.043  -0.016  -0.320  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -1.274  -0.189  -1.289  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -7.580   0.360  -2.512  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -6.082   0.202  -2.472  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -5.477   0.148  -1.223  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -4.022  -0.101  -1.228  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -3.425   0.207   0.097  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -2.071   0.241   0.528  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -2.005   0.551   1.828  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -3.278   0.733   2.217  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -3.544   1.109   3.584  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -4.168   0.515   1.216  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.645   0.602   1.254  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -6.214  -0.144   0.028  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -5.439   0.136  -3.521  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.354  -0.071  -0.113  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        0.967   0.101   1.130  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.361   0.038   1.272  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.185  -0.203   0.169  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        2.582  -0.375  -1.081  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.188  -0.310  -1.217  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.628  -0.259   0.329  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.496  -0.970  -0.475  0.00  0.00    +0.117 A 
ATOM     24  N   LIG    1        6.749  -0.766   0.031  0.00  0.00    -0.269 N 
ATOM     25  N   LIG    1        6.764   0.034   1.113  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        5.475   0.335   1.295  0.00  0.00    +0.142 A 
BRANCH  24  27
ATOM     27  C   LIG    1        7.988  -1.312  -0.478  0.00  0.00    +0.171 C 
BRANCH  27  28
ATOM     28  C   LIG    1        8.899  -0.233  -1.044  0.00  0.00    +0.179 C 
BRANCH  28  29
ATOM     29  O   LIG    1       10.027  -0.838  -1.673  0.00  0.00    -0.393 OA
ATOM     30  H   LIG    1       10.614  -0.114  -1.954  0.00  0.00    +0.209 HD
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 6