REMARK Name = BDB037650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.731 -1.093 -0.819 0.00 0.00 -0.249 N ATOM 2 C LIG 1 -1.402 -1.284 -0.533 0.00 0.00 +0.130 A ATOM 3 N LIG 1 -0.623 -2.450 -0.538 0.00 0.00 -0.255 N ATOM 4 C LIG 1 0.759 -2.288 -0.300 0.00 0.00 +0.242 C ATOM 5 C LIG 1 1.344 -0.867 -0.498 0.00 0.00 +0.167 C ATOM 6 C LIG 1 0.489 0.197 0.239 0.00 0.00 +0.057 C ATOM 7 O LIG 1 1.505 -3.235 -0.020 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -0.929 -0.034 -0.179 0.00 0.00 +0.030 A ATOM 9 C LIG 1 -2.026 0.867 -0.289 0.00 0.00 +0.153 A ATOM 10 N LIG 1 -3.113 0.199 -0.710 0.00 0.00 -0.165 NA ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 2.759 -0.883 -0.123 0.00 0.00 -0.299 N ATOM 12 H LIG 1 3.055 -1.661 0.456 0.00 0.00 +0.150 HD ATOM 13 C LIG 1 3.634 0.090 -0.533 0.00 0.00 +0.245 C ATOM 14 O LIG 1 3.287 1.062 -1.193 0.00 0.00 -0.270 OA BRANCH 13 15 ATOM 15 C LIG 1 5.055 -0.064 -0.115 0.00 0.00 +0.037 A ATOM 16 C LIG 1 5.841 1.092 -0.006 0.00 0.00 +0.025 A ATOM 17 C LIG 1 7.189 1.011 0.379 0.00 0.00 +0.056 A ATOM 18 C LIG 1 7.738 -0.249 0.660 0.00 0.00 +0.012 A ATOM 19 C LIG 1 6.964 -1.405 0.537 0.00 0.00 +0.001 A ATOM 20 C LIG 1 5.626 -1.315 0.146 0.00 0.00 +0.013 A BRANCH 17 21 ATOM 21 C LIG 1 8.017 2.264 0.522 0.00 0.00 +0.417 C ATOM 22 F LIG 1 7.730 3.205 -0.419 0.00 0.00 -0.166 F ATOM 23 F LIG 1 7.833 2.869 1.728 0.00 0.00 -0.166 F ATOM 24 F LIG 1 9.357 2.036 0.420 0.00 0.00 -0.166 F ENDBRANCH 17 21 ENDBRANCH 13 15 ENDBRANCH 5 11 BRANCH 6 25 ATOM 25 C LIG 1 0.774 0.207 1.736 0.00 0.00 -0.001 C ATOM 26 C LIG 1 0.244 -0.842 2.687 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -0.254 0.574 2.783 0.00 0.00 +0.004 C ENDBRANCH 6 25 BRANCH 9 28 ATOM 28 C LIG 1 -2.008 2.325 -0.007 0.00 0.00 +0.268 C ATOM 29 N LIG 1 -3.217 3.031 0.173 0.00 0.00 -0.280 N ATOM 30 O LIG 1 -0.929 2.914 0.088 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 -3.141 4.440 0.510 0.00 0.00 +0.078 C ATOM 32 C LIG 1 -4.018 5.470 -0.160 0.00 0.00 +0.024 C ATOM 33 C LIG 1 -2.552 5.439 -0.455 0.00 0.00 +0.024 C ENDBRANCH 29 31 BRANCH 29 34 ATOM 34 C LIG 1 -4.529 2.393 0.351 0.00 0.00 +0.227 C BRANCH 34 35 ATOM 35 C LIG 1 -4.622 1.604 1.593 0.00 0.00 +0.082 C ATOM 36 N LIG 1 -4.706 0.993 2.578 0.00 0.00 -0.195 NA ENDBRANCH 34 35 ENDBRANCH 29 34 ENDBRANCH 9 28 BRANCH 3 37 ATOM 37 C LIG 1 -1.122 -3.821 -0.542 0.00 0.00 +0.112 C ATOM 38 C LIG 1 -1.589 -4.266 0.836 0.00 0.00 +0.025 C ENDBRANCH 3 37 BRANCH 1 39 ATOM 39 C LIG 1 -3.744 -2.024 -1.281 0.00 0.00 +0.145 C BRANCH 39 41 ATOM 40 C LIG 1 -4.703 -3.277 -3.240 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -3.667 -2.262 -2.787 0.00 0.00 +0.020 C ENDBRANCH 39 41 ENDBRANCH 1 39 TORSDOF 11