REMARK Name = BDB008777 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.966 -1.732 -0.058 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.590 -1.589 0.088 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.139 -2.570 0.732 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.458 -2.248 0.804 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 -1.591 -1.076 0.202 0.00 0.00 +0.162 A ATOM 6 N LIG 1 0.382 -3.702 1.226 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.701 -3.791 1.015 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.362 -0.666 -0.303 0.00 0.00 -0.314 N ATOM 9 N LIG 1 2.496 -2.880 0.407 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.870 -0.356 0.097 0.00 0.00 +0.107 A ATOM 11 N LIG 1 -2.804 0.966 -0.173 0.00 0.00 -0.252 NA ATOM 12 C LIG 1 -3.975 1.631 -0.240 0.00 0.00 +0.112 A ATOM 13 C LIG 1 -5.218 1.045 -0.049 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -5.296 -0.322 0.238 0.00 0.00 -0.038 A ATOM 15 C LIG 1 -4.078 -1.020 0.312 0.00 0.00 +0.035 A BRANCH 14 16 ATOM 16 C LIG 1 -6.626 -1.058 0.467 0.00 0.00 -0.013 C ATOM 17 C LIG 1 -7.868 -0.145 0.348 0.00 0.00 +0.015 C ATOM 18 C LIG 1 -6.786 -2.184 -0.577 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -6.644 -1.671 1.883 0.00 0.00 +0.015 C ENDBRANCH 14 16 ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 2.776 -0.768 -0.646 0.00 0.00 -0.324 N ATOM 21 H LIG 1 2.477 0.176 -0.427 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 4.728 -0.530 0.828 0.00 0.00 +0.028 C ATOM 23 C LIG 1 4.233 -0.940 -0.559 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 4.879 -0.118 -1.693 0.00 0.00 +0.009 C ATOM 25 C LIG 1 6.424 -0.097 -1.812 0.00 0.00 +0.005 C ATOM 26 C LIG 1 6.417 1.341 -1.267 0.00 0.00 +0.001 C ATOM 27 C LIG 1 4.923 1.432 -1.616 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 2.362 -5.047 1.522 0.00 0.00 +0.375 C ATOM 29 O LIG 1 1.819 -5.991 2.073 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 3.701 -5.070 1.319 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 3.977 -5.933 1.689 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 -0.133 0.430 -1.239 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 0.455 1.678 -0.615 0.00 0.00 -0.025 A ATOM 34 C LIG 1 1.210 2.541 -1.425 0.00 0.00 +0.044 A ATOM 35 C LIG 1 1.764 3.707 -0.899 0.00 0.00 +0.135 A ATOM 36 F LIG 1 2.480 4.497 -1.710 0.00 0.00 -0.205 F ATOM 37 C LIG 1 1.590 4.054 0.435 0.00 0.00 +0.090 A ATOM 38 C LIG 1 0.808 3.219 1.242 0.00 0.00 +0.015 A ATOM 39 C LIG 1 0.243 2.047 0.722 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 2.200 5.319 0.957 0.00 0.00 +0.420 C ATOM 41 F LIG 1 1.564 6.434 0.505 0.00 0.00 -0.166 F ATOM 42 F LIG 1 3.511 5.464 0.622 0.00 0.00 -0.166 F ATOM 43 F LIG 1 2.164 5.403 2.317 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 10