REMARK  Name = BDB031769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.991   2.204   1.017  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.503   1.919  -0.272  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.696   1.207  -0.395  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.444   0.782   0.693  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        2.574   0.104   0.130  0.00  0.00    +0.152 A 
ATOM      6  N   LIG    1        2.520   0.115  -1.205  0.00  0.00    -0.158 NA
ATOM      7  C   LIG    1        0.976   1.084   1.985  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1        1.389   0.777  -1.490  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1        1.141   0.905  -2.463  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.229   1.792   2.124  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.737  -1.236  -0.558  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -3.295  -0.173   0.244  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -3.843   1.089   0.068  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1       -3.618   2.417   0.735  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -2.283   2.968   1.194  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1       -4.610   3.337   0.061  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1       -5.278   2.588  -0.891  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -6.002   2.974  -1.476  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -4.770   4.518   0.323  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1       -3.322   2.521   2.203  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -4.843   1.261  -0.899  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -5.305   0.241  -1.703  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -4.736  -1.024  -1.526  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1       -3.507  -3.546  -1.087  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.118  -2.429  -0.299  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1        3.532  -0.450   0.915  0.00  0.00    -0.296 N 
ATOM     27  H   LIG    1        3.411  -0.368   1.921  0.00  0.00    +0.154 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.721  -1.158   0.612  0.00  0.00    +0.054 A 
ATOM     29  C   LIG    1        5.534  -1.632   1.654  0.00  0.00    +0.080 A 
ATOM     30 CL   LIG    1        5.117  -1.371   3.310  0.00  0.00    -0.080 Cl
ATOM     31  C   LIG    1        6.697  -2.325   1.347  0.00  0.00    +0.132 A 
ATOM     32  N   LIG    1        7.112  -2.581   0.086  0.00  0.00    -0.259 NA
ATOM     33  C   LIG    1        6.330  -2.124  -0.918  0.00  0.00    +0.040 A 
ATOM     34  C   LIG    1        6.779  -2.402  -2.322  0.00  0.00    +0.065 C 
ATOM     35  C   LIG    1        5.146  -1.420  -0.695  0.00  0.00    +0.047 A 
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 4