REMARK  Name = BDB053681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.223  -1.929  -0.055  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -0.150  -1.500  -0.964  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1        0.436  -1.263   0.966  0.00  0.00    +0.305 C 
ATOM      4  N   LIG    1        1.571  -0.655   0.479  0.00  0.00    -0.254 N 
ATOM      5  H   LIG    1        1.887  -0.975  -0.419  0.00  0.00    +0.158 HD
ATOM      6  O   LIG    1        0.040  -1.279   2.122  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.406   0.203   1.207  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        2.028   0.671   2.405  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1        2.853   1.517   3.052  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1        4.069   1.931   2.546  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        4.472   1.448   1.301  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        3.615   0.573   0.620  0.00  0.00    +0.055 A 
BRANCH  11  13
ATOM     13  C   LIG    1        5.758   1.876   0.756  0.00  0.00    +0.179 A 
ATOM     14  N   LIG    1        6.429   1.291  -0.284  0.00  0.00    -0.239 N 
ATOM     15  H   LIG    1        6.189   0.485  -0.844  0.00  0.00    +0.192 HD
ATOM     16  N   LIG    1        7.579   1.931  -0.523  0.00  0.00    -0.046 NA
ATOM     17  N   LIG    1        7.623   2.902   0.376  0.00  0.00    -0.023 NA
ATOM     18  N   LIG    1        6.509   2.877   1.178  0.00  0.00    -0.108 NA
ENDBRANCH  11  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.489  -2.586   0.204  0.00  0.00    +0.141 C 
BRANCH  19  23
ATOM     20  C   LIG    1       -4.772  -0.060  -1.045  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1       -4.105   0.183   0.157  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -3.050  -0.636   0.566  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -2.644  -1.717  -0.226  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -3.311  -1.954  -1.436  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -4.370  -1.132  -1.841  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -6.523   0.586  -2.517  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -5.785   0.816  -1.324  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5