REMARK Name = BDB030576 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.205 0.341 0.571 0.00 0.00 +0.159 A ATOM 2 C LIG 1 -1.101 -0.144 0.533 0.00 0.00 +0.203 A ATOM 3 F LIG 1 -1.436 -1.189 1.312 0.00 0.00 -0.198 F ATOM 4 C LIG 1 -2.034 0.506 -0.272 0.00 0.00 +0.163 A ATOM 5 N LIG 1 -1.662 1.593 -0.985 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 -0.382 1.980 -0.900 0.00 0.00 +0.225 A ATOM 7 N LIG 1 0.578 1.402 -0.167 0.00 0.00 -0.218 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 1.159 -0.350 1.352 0.00 0.00 -0.326 N ATOM 9 H LIG 1 0.727 -0.591 2.244 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 2.458 0.304 1.525 0.00 0.00 +0.109 C BRANCH 10 13 ATOM 11 C LIG 1 5.375 0.976 1.679 0.00 0.00 +0.043 C ATOM 12 C LIG 1 4.650 0.915 0.329 0.00 0.00 +0.080 C ATOM 13 C LIG 1 3.397 0.004 0.341 0.00 0.00 +0.040 C ATOM 14 C LIG 1 3.804 -1.479 0.300 0.00 0.00 +0.023 C ATOM 15 C LIG 1 4.686 -1.767 -0.916 0.00 0.00 +0.085 C ATOM 16 N LIG 1 5.903 -0.951 -0.990 0.00 0.00 -0.291 NA ATOM 17 C LIG 1 5.598 0.483 -0.830 0.00 0.00 +0.119 C BRANCH 12 18 ATOM 18 O LIG 1 4.233 2.268 0.065 0.00 0.00 -0.387 OA ATOM 19 H LIG 1 3.564 2.249 -0.644 0.00 0.00 +0.210 HD ENDBRANCH 12 18 BRANCH 16 20 ATOM 20 C LIG 1 6.962 -1.455 -0.089 0.00 0.00 +0.180 C BRANCH 20 21 ATOM 21 C LIG 1 8.325 -0.858 -0.446 0.00 0.00 +0.225 C ATOM 22 O LIG 1 9.164 -0.530 0.387 0.00 0.00 -0.275 OA ATOM 23 N LIG 1 8.576 -0.764 -1.788 0.00 0.00 -0.328 N ATOM 24 H LIG 1 9.402 -0.254 -2.064 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 7.768 -0.753 -2.401 0.00 0.00 +0.145 HD ENDBRANCH 20 21 ENDBRANCH 16 20 ENDBRANCH 10 13 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 26 ATOM 26 N LIG 1 -3.374 0.067 -0.356 0.00 0.00 -0.305 N BRANCH 26 27 ATOM 27 C LIG 1 -3.735 -1.345 -0.129 0.00 0.00 +0.075 C ATOM 28 C LIG 1 -4.476 -2.171 -1.151 0.00 0.00 +0.024 C ATOM 29 C LIG 1 -3.042 -2.472 -0.855 0.00 0.00 +0.024 C ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 C LIG 1 -4.314 0.951 -1.050 0.00 0.00 +0.142 C BRANCH 30 31 ATOM 31 C LIG 1 -5.701 0.902 -0.433 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -5.890 1.237 0.916 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -7.165 1.207 1.485 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -8.281 0.855 0.713 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -8.092 0.520 -0.636 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -6.816 0.550 -1.205 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -9.656 0.798 1.331 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -9.946 -0.433 1.837 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -10.653 1.083 0.447 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -9.817 1.673 2.363 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 4 26 TORSDOF 11