REMARK  Name = BDB002318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.049  -0.416   0.677  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.227  -1.479   0.984  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.196  -1.265   1.220  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.643  -2.502   2.000  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.686  -3.587   1.506  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.626  -2.834   1.331  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.600   0.732   0.585  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.966  -1.165  -0.114  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        3.098  -0.372  -0.046  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        3.130   0.334   0.682  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        1.646  -1.784  -1.130  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.884  -0.091  -1.239  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        5.269   0.418  -0.861  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        5.858   1.514  -1.523  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1        7.145   1.938  -1.150  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        7.860   1.263  -0.161  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.299   0.160   0.472  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.129   2.267  -2.609  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1        4.019   1.436  -3.240  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1        6.016  -0.265   0.118  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        3.114   0.877  -2.154  0.00  0.00    +0.027 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -2.544  -0.710   0.422  0.00  0.00    +0.162 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.263   0.379   1.080  0.00  0.00    -0.302 N 
ATOM     24  H   LIG    1       -2.925   1.333   0.949  0.00  0.00    +0.150 HD
ATOM     25  C   LIG    1       -4.263   0.216   2.014  0.00  0.00    +0.230 C 
ATOM     26  O   LIG    1       -4.711  -0.881   2.338  0.00  0.00    -0.274 OA
BRANCH  25  27
ATOM     27  C   LIG    1       -4.709   1.549   2.672  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -6.160   1.450   3.142  0.00  0.00    +0.034 C 
BRANCH  27  29
ATOM     29  N   LIG    1       -4.489   2.662   1.712  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1       -5.208   2.624   0.987  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1       -4.499   3.968   2.354  0.00  0.00    +0.101 C 
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH  22  23
BRANCH  22  32
ATOM     32  C   LIG    1       -2.916  -0.754  -1.085  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -1.830  -1.390  -1.962  0.00  0.00    +0.010 C 
BRANCH  32  35
ATOM     34  C   LIG    1       -4.846  -1.468  -2.661  0.00  0.00    +0.004 C 
ATOM     35  C   LIG    1       -4.270  -1.492  -1.250  0.00  0.00    +0.002 C 
ENDBRANCH  32  35
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 8