REMARK  Name = BDB045630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.899  -0.171  -1.474  0.00  0.00    -0.337 N 
ATOM      2  H   LIG    1       -1.836  -1.076  -1.968  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.969  -0.198  -0.555  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -3.469   0.974   0.067  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -4.501   0.843   0.992  0.00  0.00    +0.140 A 
ATOM      6  N   LIG    1       -4.819   2.088   1.462  0.00  0.00    -0.346 N 
ATOM      7  H   LIG    1       -5.547   2.260   2.139  0.00  0.00    +0.167 HD
ATOM      8  C   LIG    1       -4.031   3.030   0.855  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1       -5.120  -0.284   1.383  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1       -4.649  -1.381   0.745  0.00  0.00    +0.128 A 
ATOM     11  C   LIG    1       -3.194   2.372  -0.021  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -3.607  -1.407  -0.182  0.00  0.00    +0.076 A 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.202  -2.703  -0.779  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1       -2.745  -2.776  -1.913  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1       -3.313  -3.826  -0.001  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1       -3.352  -3.773   1.007  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -2.880  -4.655  -0.392  0.00  0.00    +0.145 HD
ENDBRANCH  12  13
ENDBRANCH   1   3
BRANCH   1  22
ATOM     18  N   LIG    1        2.265  -0.118  -0.588  0.00  0.00    -0.312 N 
ATOM     19  C   LIG    1        1.368  -0.233   0.581  0.00  0.00    +0.145 C 
ATOM     20  C   LIG    1       -0.046  -0.651   0.165  0.00  0.00    +0.203 C 
ATOM     21  F   LIG    1       -0.017  -1.948  -0.263  0.00  0.00    -0.242 F 
ATOM     22  C   LIG    1       -0.584   0.258  -0.953  0.00  0.00    +0.107 C 
ATOM     23  C   LIG    1        0.404   0.295  -2.123  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        1.770   0.776  -1.645  0.00  0.00    +0.108 C 
BRANCH  18  28
ATOM     25  C   LIG    1        6.204   0.708   0.548  0.00  0.00    +0.070 A 
ATOM     26  C   LIG    1        5.413   1.615  -0.134  0.00  0.00    +0.131 A 
ATOM     27  N   LIG    1        4.133   1.374  -0.510  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1        3.589   0.175  -0.203  0.00  0.00    +0.121 A 
ATOM     29  C   LIG    1        4.330  -0.794   0.477  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1        5.647  -0.527   0.859  0.00  0.00    +0.024 A 
BRANCH  25  32
ATOM     31  N   LIG    1        8.633   1.306   1.212  0.00  0.00    -0.191 NA
ATOM     32  C   LIG    1        7.545   1.036   0.912  0.00  0.00    +0.101 C 
ENDBRANCH  25  32
ENDBRANCH  18  28
ENDBRANCH   1  22
TORSDOF 5