REMARK  Name = BDB034322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.076   2.037  -0.726  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -2.672   2.678  -1.895  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -1.381   2.553  -2.385  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -0.444   1.754  -1.684  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        0.867   1.625  -2.231  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        1.173   2.366  -3.374  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        0.182   3.121  -3.973  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -0.861   1.142  -0.475  0.00  0.00    +0.015 A 
ATOM      9  N   LIG    1       -1.078   3.211  -3.513  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1       -2.163   1.284   0.003  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1        1.840   0.857  -1.557  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        1.418   0.022  -1.156  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        3.125   0.570  -2.190  0.00  0.00    +0.103 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.962  -0.313  -1.262  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.335  -0.597  -1.874  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  N   LIG    1        6.128  -1.544  -1.090  0.00  0.00    -0.309 NA
ATOM     17  H   LIG    1        6.955  -1.808  -1.629  0.00  0.00    +0.122 HD
BRANCH  16  18
ATOM     18  C   LIG    1        6.606  -0.972   0.173  0.00  0.00    +0.155 C 
BRANCH  18  19
ATOM     19  C   LIG    1        7.572  -1.902   0.818  0.00  0.00    +0.119 A 
ATOM     20  O   LIG    1        8.893  -1.709   0.528  0.00  0.00    -0.467 OA
ATOM     21  C   LIG    1        9.589  -2.656   1.207  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1        8.736  -3.459   1.927  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        7.431  -2.974   1.674  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  24
ATOM     24  O   LIG    1       -4.369   2.254  -0.307  0.00  0.00    -0.456 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -6.531   0.248   1.895  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1       -5.758   1.292   1.355  0.00  0.00    +0.069 A 
ATOM     27  C   LIG    1       -5.078   1.160   0.137  0.00  0.00    +0.130 A 
ATOM     28  C   LIG    1       -5.188  -0.006  -0.612  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -5.956  -1.052  -0.117  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -6.614  -0.921   1.114  0.00  0.00    +0.023 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -7.707  -0.825   3.779  0.00  0.00    +0.129 C 
ATOM     32  N   LIG    1       -7.215   0.379   3.111  0.00  0.00    -0.336 N 
ATOM     33  C   LIG    1       -6.897   1.504   3.989  0.00  0.00    +0.129 C 
ENDBRANCH  25  32
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 10