REMARK Name = BDB026250 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.111 0.912 -0.194 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.490 -0.455 -0.160 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.843 -0.825 -0.151 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.864 0.140 -0.203 0.00 0.00 +0.019 A ATOM 5 C LIG 1 2.471 1.481 -0.281 0.00 0.00 +0.133 A ATOM 6 F LIG 1 3.395 2.454 -0.337 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.129 1.862 -0.284 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -1.265 2.972 2.616 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -2.416 2.351 1.816 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.078 3.345 0.930 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.469 2.950 0.676 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.365 3.549 -0.359 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -1.333 4.674 -0.229 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -1.791 2.279 -1.050 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.235 1.274 -0.134 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -1.968 1.040 1.121 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 4.285 -0.261 -0.194 0.00 0.00 -0.014 A ATOM 18 C LIG 1 4.762 -1.181 0.761 0.00 0.00 +0.025 A ATOM 19 C LIG 1 6.119 -1.553 0.747 0.00 0.00 +0.040 A ATOM 20 C LIG 1 7.016 -1.038 -0.190 0.00 0.00 +0.078 A ATOM 21 N LIG 1 8.319 -1.496 -0.081 0.00 0.00 -0.247 NA ATOM 22 C LIG 1 8.402 -2.342 0.920 0.00 0.00 +0.157 A ATOM 23 C LIG 1 6.539 -0.120 -1.143 0.00 0.00 +0.029 A ATOM 24 S LIG 1 6.957 -2.643 1.787 0.00 0.00 -0.075 S ATOM 25 C LIG 1 5.188 0.255 -1.135 0.00 0.00 +0.011 A ENDBRANCH 4 17 BRANCH 2 26 ATOM 26 N LIG 1 -0.564 -1.396 -0.218 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -1.464 -0.950 -0.373 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -0.490 -2.764 -0.135 0.00 0.00 +0.250 C ATOM 29 O LIG 1 0.500 -3.442 0.106 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -1.820 -3.428 -0.291 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -2.657 -3.336 -1.485 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -3.830 -4.000 -1.518 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -4.275 -4.816 -0.361 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -5.347 -5.405 -0.376 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -3.410 -4.857 0.703 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -3.700 -5.434 1.486 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -2.210 -4.193 0.742 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -2.178 -2.534 -2.655 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -2.948 -2.720 -3.758 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -2.221 -1.205 -2.381 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.908 -2.837 -3.012 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 5