REMARK Name = BDB020141 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.506 0.478 -1.094 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.027 -0.770 -1.449 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.206 -1.250 -0.859 0.00 0.00 -0.012 A ATOM 4 C LIG 1 -2.850 -0.436 0.093 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.347 0.827 0.459 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.182 1.284 -0.171 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.755 -2.567 -1.231 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -3.030 -3.582 -0.301 0.00 0.00 +0.223 A ATOM 9 N LIG 1 -3.549 -4.792 -0.615 0.00 0.00 -0.221 NA ATOM 10 C LIG 1 -3.818 -5.021 -1.916 0.00 0.00 +0.114 A ATOM 11 C LIG 1 -3.586 -4.100 -2.920 0.00 0.00 +0.021 A ATOM 12 C LIG 1 -3.050 -2.861 -2.570 0.00 0.00 +0.015 A BRANCH 8 13 ATOM 13 O LIG 1 -2.702 -3.345 1.020 0.00 0.00 -0.467 OA BRANCH 13 14 ATOM 14 C LIG 1 -3.328 -4.239 1.951 0.00 0.00 +0.343 C BRANCH 14 15 ATOM 15 C LIG 1 -4.769 -3.859 2.254 0.00 0.00 +0.424 C ATOM 16 F LIG 1 -5.603 -4.013 1.206 0.00 0.00 -0.167 F ATOM 17 F LIG 1 -5.254 -4.612 3.270 0.00 0.00 -0.167 F ATOM 18 F LIG 1 -4.854 -2.563 2.649 0.00 0.00 -0.167 F ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 21 ATOM 19 N LIG 1 1.578 1.697 -0.906 0.00 0.00 -0.304 N ATOM 20 H LIG 1 1.385 1.705 0.086 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 0.773 0.920 -1.710 0.00 0.00 +0.245 C ATOM 22 O LIG 1 1.064 0.564 -2.846 0.00 0.00 -0.270 OA BRANCH 19 23 ATOM 23 C LIG 1 2.938 2.013 -1.285 0.00 0.00 +0.107 C BRANCH 23 30 ATOM 24 C LIG 1 5.645 -2.180 -2.034 0.00 0.00 +0.047 C ATOM 25 C LIG 1 5.187 -1.086 -1.118 0.00 0.00 -0.015 A ATOM 26 C LIG 1 5.529 -1.096 0.234 0.00 0.00 +0.126 A ATOM 27 F LIG 1 6.309 -2.072 0.721 0.00 0.00 -0.205 F ATOM 28 C LIG 1 5.067 -0.112 1.102 0.00 0.00 +0.039 A ATOM 29 C LIG 1 4.241 0.905 0.622 0.00 0.00 +0.008 A ATOM 30 C LIG 1 3.878 0.948 -0.735 0.00 0.00 -0.027 A ATOM 31 C LIG 1 4.347 -0.067 -1.591 0.00 0.00 +0.011 A ENDBRANCH 23 30 BRANCH 23 32 ATOM 32 C LIG 1 3.349 3.396 -0.824 0.00 0.00 +0.014 C ATOM 33 C LIG 1 2.740 4.129 0.355 0.00 0.00 +0.006 C ATOM 34 C LIG 1 2.438 4.583 -1.046 0.00 0.00 +0.006 C ENDBRANCH 23 32 ENDBRANCH 19 23 ENDBRANCH 1 21 BRANCH 5 35 ATOM 35 C LIG 1 -3.104 1.645 1.490 0.00 0.00 +0.161 C BRANCH 35 36 ATOM 36 N LIG 1 -2.326 2.723 2.066 0.00 0.00 -0.295 N ATOM 37 C LIG 1 -1.235 2.582 2.900 0.00 0.00 +0.296 A ATOM 38 N LIG 1 -0.627 1.530 3.313 0.00 0.00 -0.250 NA ATOM 39 H LIG 1 -1.080 0.698 2.931 0.00 0.00 +0.191 HD ATOM 40 O LIG 1 -0.766 3.831 3.295 0.00 0.00 -0.431 OA ATOM 41 C LIG 1 -1.661 4.688 2.642 0.00 0.00 +0.217 A ATOM 42 C LIG 1 -2.581 4.057 1.923 0.00 0.00 +0.129 A ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 10