REMARK Name = BDB026170 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.558 0.989 -0.092 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.062 -0.288 -0.033 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.454 -0.406 0.091 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.281 0.729 0.124 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.657 1.977 0.015 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.390 3.102 0.033 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.272 2.109 -0.095 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -2.511 4.392 -0.106 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.413 3.177 -0.370 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.190 2.718 0.808 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -4.929 3.783 1.478 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.331 1.984 1.753 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.687 0.749 1.098 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -1.950 1.085 -0.136 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.629 2.014 -1.060 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.744 0.595 0.255 0.00 0.00 -0.012 A ATOM 17 C LIG 1 4.310 -0.220 1.249 0.00 0.00 +0.047 A ATOM 18 C LIG 1 5.695 -0.347 1.373 0.00 0.00 +0.136 A ATOM 19 F LIG 1 6.169 -1.158 2.329 0.00 0.00 -0.205 F ATOM 20 C LIG 1 6.551 0.325 0.505 0.00 0.00 +0.072 A ATOM 21 C LIG 1 6.009 1.145 -0.490 0.00 0.00 +0.016 A ATOM 22 C LIG 1 4.620 1.275 -0.611 0.00 0.00 +0.009 A BRANCH 20 23 ATOM 23 C LIG 1 8.016 0.186 0.661 0.00 0.00 +0.244 C ATOM 24 O LIG 1 8.554 0.064 1.752 0.00 0.00 -0.270 OA ATOM 25 N LIG 1 8.758 0.193 -0.490 0.00 0.00 -0.325 N ATOM 26 H LIG 1 9.739 -0.030 -0.379 0.00 0.00 +0.145 HD ATOM 27 H LIG 1 8.342 0.028 -1.396 0.00 0.00 +0.145 HD ENDBRANCH 20 23 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -0.797 -1.402 -0.173 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -1.751 -1.125 -0.389 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -0.476 -2.736 -0.184 0.00 0.00 +0.250 C ATOM 31 O LIG 1 0.630 -3.245 -0.048 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -1.657 -3.618 -0.429 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -1.687 -4.565 -1.540 0.00 0.00 +0.036 A ATOM 34 C LIG 1 -2.760 -5.364 -1.701 0.00 0.00 +0.080 A ATOM 35 C LIG 1 -3.901 -5.294 -0.756 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -4.884 -6.012 -0.887 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -3.777 -4.381 0.263 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -4.553 -4.349 0.915 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -2.685 -3.567 0.435 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -0.516 -4.592 -2.482 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -0.717 -5.480 -3.497 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -0.361 -3.381 -3.083 0.00 0.00 -0.204 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6