REMARK  Name = BDB054624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.558  -0.860  -1.931  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -0.321  -1.031  -0.877  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.581  -0.981  -1.457  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.471  -0.826  -2.821  0.00  0.00    -0.237 NA
ATOM      5  C   LIG    1       -0.186  -0.754  -3.087  0.00  0.00    +0.107 A 
ATOM      6  C   LIG    1        0.392  -0.573  -4.443  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.015  -0.840  -1.855  0.00  0.00    +0.158 C 
BRANCH   7  11
ATOM      8  C   LIG    1        3.740   2.771  -0.183  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1        2.596   2.846  -0.978  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.022   1.693  -1.520  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        2.577   0.432  -1.263  0.00  0.00    -0.027 A 
ATOM     12  C   LIG    1        3.738   0.367  -0.476  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        4.311   1.524   0.064  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1        5.333   3.945   1.133  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        4.196   3.973   0.280  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  C   LIG    1        0.086  -1.175   0.557  0.00  0.00    +0.090 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.346  -2.476   1.205  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1       -0.216  -3.708   0.544  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -0.593  -4.897   1.175  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -1.089  -4.864   2.475  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1       -1.553  -6.328   3.252  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -1.208  -3.654   3.153  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -0.832  -2.465   2.522  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH   2  16
BRANCH   3  24
ATOM     24  C   LIG    1       -2.937  -1.097  -0.840  0.00  0.00    +0.092 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.171   0.140  -0.004  0.00  0.00    -0.041 A 
ATOM     26  C   LIG    1       -3.465   0.021   1.361  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -3.701   1.157   2.142  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.702   2.430   1.569  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1       -3.368   2.555   0.220  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -3.134   1.424  -0.567  0.00  0.00    +0.006 A 
BRANCH  28  31
ATOM     31  N   LIG    1       -3.821   3.567   2.377  0.00  0.00    -0.358 N 
ATOM     32  H   LIG    1       -4.119   4.395   1.869  0.00  0.00    +0.142 HD
ATOM     33  H   LIG    1       -4.369   3.414   3.217  0.00  0.00    +0.142 HD
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8