REMARK Name = BDB019848 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.264 -2.320 0.496 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.170 -2.749 -0.477 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.542 -2.503 -0.327 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -2.983 -1.834 0.829 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.083 -1.413 1.821 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.721 -1.690 1.656 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.495 -2.923 -1.365 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -4.137 -2.003 -2.227 0.00 0.00 +0.065 A ATOM 9 C LIG 1 -5.048 -2.483 -3.188 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -5.303 -3.844 -3.300 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -6.170 -4.277 -4.223 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -4.671 -4.756 -2.473 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.772 -4.298 -1.510 0.00 0.00 +0.012 A BRANCH 8 14 ATOM 14 C LIG 1 -3.879 -0.515 -2.143 0.00 0.00 +0.418 C ATOM 15 F LIG 1 -2.558 -0.190 -2.162 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -4.435 0.182 -3.176 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -4.398 0.045 -1.014 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 2.064 -1.514 0.410 0.00 0.00 -0.307 N ATOM 19 H LIG 1 3.035 -1.780 0.293 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 1.179 -2.554 0.278 0.00 0.00 +0.244 C ATOM 21 O LIG 1 1.565 -3.673 -0.043 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 1.767 -0.104 0.594 0.00 0.00 +0.140 C BRANCH 22 27 ATOM 23 C LIG 1 4.548 2.501 0.466 0.00 0.00 +0.124 A ATOM 24 C LIG 1 4.919 2.436 -0.877 0.00 0.00 +0.091 A ATOM 25 C LIG 1 4.289 1.538 -1.747 0.00 0.00 +0.124 A ATOM 26 C LIG 1 3.271 0.713 -1.269 0.00 0.00 +0.051 A ATOM 27 C LIG 1 2.883 0.768 0.079 0.00 0.00 -0.023 A ATOM 28 C LIG 1 3.529 1.669 0.935 0.00 0.00 +0.051 A BRANCH 23 30 ATOM 29 C LIG 1 6.195 4.125 1.010 0.00 0.00 +0.277 C ATOM 30 O LIG 1 5.088 3.327 1.413 0.00 0.00 -0.495 OA ENDBRANCH 23 30 BRANCH 25 31 ATOM 31 O LIG 1 4.752 1.573 -3.036 0.00 0.00 -0.495 OA ATOM 32 C LIG 1 4.286 0.550 -3.909 0.00 0.00 +0.277 C ENDBRANCH 25 31 ENDBRANCH 22 27 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 33 ATOM 33 C LIG 1 -2.559 -0.595 3.004 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 N LIG 1 -2.243 0.808 2.805 0.00 0.00 -0.313 N ATOM 35 C LIG 1 -1.026 1.418 3.147 0.00 0.00 +0.204 A ATOM 36 N LIG 1 -0.067 0.981 3.882 0.00 0.00 -0.268 NA ATOM 37 H LIG 1 -0.323 0.076 4.275 0.00 0.00 +0.190 HD ATOM 38 N LIG 1 -1.057 2.650 2.488 0.00 0.00 -0.320 N ATOM 39 C LIG 1 0.069 3.549 2.433 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -2.222 2.760 1.745 0.00 0.00 +0.106 A ATOM 41 C LIG 1 -2.943 1.648 1.938 0.00 0.00 +0.107 A ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 9