REMARK Name = BDB048814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.226 -0.228 -0.686 0.00 0.00 +0.081 C ATOM 2 C LIG 1 2.906 0.371 -0.681 0.00 0.00 +0.169 C ATOM 3 C LIG 1 1.940 -0.591 -0.189 0.00 0.00 -0.000 A ATOM 4 C LIG 1 2.709 -1.731 0.102 0.00 0.00 -0.011 A ATOM 5 C LIG 1 2.103 -2.875 0.594 0.00 0.00 +0.012 A ATOM 6 C LIG 1 0.719 -2.857 0.789 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -0.051 -1.718 0.488 0.00 0.00 +0.121 A ATOM 8 C LIG 1 0.566 -0.567 -0.012 0.00 0.00 +0.052 A ATOM 9 C LIG 1 4.143 -1.493 -0.211 0.00 0.00 +0.002 C ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 5.269 -2.404 0.018 0.00 0.00 -0.017 A ATOM 11 C LIG 1 5.982 -2.953 -1.054 0.00 0.00 +0.008 A ATOM 12 C LIG 1 7.041 -3.833 -0.821 0.00 0.00 +0.001 A ATOM 13 C LIG 1 7.391 -4.175 0.484 0.00 0.00 +0.000 A ATOM 14 C LIG 1 6.684 -3.637 1.558 0.00 0.00 +0.001 A ATOM 15 C LIG 1 5.626 -2.755 1.326 0.00 0.00 +0.008 A ENDBRANCH 9 10 BRANCH 2 16 ATOM 16 N LIG 1 2.611 1.653 -1.231 0.00 0.00 -0.181 N ATOM 17 O LIG 1 3.177 1.979 -2.499 0.00 0.00 -0.173 OA ATOM 18 C LIG 1 1.778 2.617 -0.523 0.00 0.00 +0.191 C ENDBRANCH 2 16 BRANCH 1 19 ATOM 19 C LIG 1 5.457 0.486 -1.078 0.00 0.00 +0.339 C ATOM 20 O LIG 1 6.330 0.038 -1.802 0.00 0.00 -0.245 OA BRANCH 19 21 ATOM 21 O LIG 1 5.464 1.702 -0.467 0.00 0.00 -0.462 OA BRANCH 21 23 ATOM 22 C LIG 1 6.426 3.860 -0.137 0.00 0.00 +0.048 C ATOM 23 C LIG 1 6.588 2.515 -0.818 0.00 0.00 +0.229 C ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 7 24 ATOM 24 O LIG 1 -1.390 -1.867 0.728 0.00 0.00 -0.492 OA BRANCH 24 25 ATOM 25 C LIG 1 -2.245 -0.771 0.388 0.00 0.00 +0.229 C BRANCH 25 26 ATOM 26 C LIG 1 -3.680 -1.188 0.714 0.00 0.00 +0.048 C BRANCH 26 27 ATOM 27 C LIG 1 -4.778 -0.139 0.421 0.00 0.00 -0.025 C ATOM 28 C LIG 1 -4.569 1.159 1.241 0.00 0.00 +0.010 C ATOM 29 C LIG 1 -5.707 2.162 0.973 0.00 0.00 -0.010 C ATOM 30 C LIG 1 -7.049 1.529 1.370 0.00 0.00 +0.007 C ATOM 31 C LIG 1 -7.292 0.254 0.547 0.00 0.00 -0.010 C ATOM 32 C LIG 1 -7.310 0.607 -0.949 0.00 0.00 +0.007 C ATOM 33 C LIG 1 -5.969 1.236 -1.356 0.00 0.00 -0.010 C ATOM 34 C LIG 1 -5.733 2.508 -0.525 0.00 0.00 +0.007 C ATOM 35 C LIG 1 -6.154 -0.743 0.816 0.00 0.00 +0.010 C ATOM 36 C LIG 1 -4.831 0.235 -1.083 0.00 0.00 +0.010 C ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 7 24 TORSDOF 9