REMARK Name = BDB047144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.216 1.402 -0.039 0.00 0.00 +0.051 A ATOM 2 C LIG 1 0.018 0.009 -0.001 0.00 0.00 +0.055 A ATOM 3 C LIG 1 1.323 -0.491 -0.026 0.00 0.00 +0.033 A ATOM 4 C LIG 1 2.431 0.375 -0.085 0.00 0.00 -0.015 A ATOM 5 C LIG 1 2.185 1.758 -0.123 0.00 0.00 +0.010 A ATOM 6 C LIG 1 0.882 2.265 -0.105 0.00 0.00 +0.025 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.805 -0.152 -0.108 0.00 0.00 +0.001 A ATOM 8 C LIG 1 4.235 -1.144 0.781 0.00 0.00 +0.020 A ATOM 9 C LIG 1 5.553 -1.627 0.741 0.00 0.00 +0.001 A ATOM 10 C LIG 1 6.430 -1.082 -0.220 0.00 0.00 +0.071 A ATOM 11 C LIG 1 7.735 -1.556 -0.261 0.00 0.00 +0.028 A ATOM 12 C LIG 1 8.186 -2.545 0.617 0.00 0.00 +0.002 A ATOM 13 C LIG 1 7.318 -3.080 1.562 0.00 0.00 +0.001 A ATOM 14 N LIG 1 6.043 -0.131 -1.085 0.00 0.00 -0.254 NA ATOM 15 C LIG 1 6.003 -2.623 1.625 0.00 0.00 +0.010 A ATOM 16 C LIG 1 4.759 0.303 -1.015 0.00 0.00 +0.120 A ENDBRANCH 4 7 BRANCH 1 21 ATOM 17 C LIG 1 -4.535 4.578 -0.805 0.00 0.00 +0.105 C ATOM 18 N LIG 1 -3.189 4.384 -0.273 0.00 0.00 -0.302 NA ATOM 19 C LIG 1 -3.215 3.462 0.886 0.00 0.00 +0.103 C ATOM 20 C LIG 1 -1.867 2.746 1.119 0.00 0.00 +0.120 C ATOM 21 N LIG 1 -1.558 1.861 -0.032 0.00 0.00 -0.326 N ATOM 22 C LIG 1 -1.985 2.401 -1.351 0.00 0.00 +0.120 C ATOM 23 C LIG 1 -2.244 3.925 -1.315 0.00 0.00 +0.103 C ENDBRANCH 1 21 BRANCH 2 24 ATOM 24 N LIG 1 -1.138 -0.798 0.056 0.00 0.00 -0.280 N ATOM 25 H LIG 1 -1.986 -0.233 0.039 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 -1.219 -2.161 0.168 0.00 0.00 +0.250 C ATOM 27 O LIG 1 -0.300 -2.961 0.288 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -2.629 -2.646 0.199 0.00 0.00 +0.065 A ATOM 29 C LIG 1 -3.540 -2.575 -0.938 0.00 0.00 +0.073 A ATOM 30 C LIG 1 -4.794 -3.054 -0.805 0.00 0.00 +0.083 A ATOM 31 C LIG 1 -5.248 -3.644 0.479 0.00 0.00 +0.249 A ATOM 32 O LIG 1 -6.390 -4.064 0.614 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 -4.311 -3.683 1.481 0.00 0.00 -0.328 N ATOM 34 H LIG 1 -4.614 -4.104 2.352 0.00 0.00 +0.168 HD ATOM 35 C LIG 1 -3.031 -3.205 1.351 0.00 0.00 +0.099 A BRANCH 29 36 ATOM 36 C LIG 1 -3.045 -2.008 -2.232 0.00 0.00 +0.418 C ATOM 37 F LIG 1 -3.928 -2.202 -3.248 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -1.874 -2.556 -2.631 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -2.860 -0.667 -2.146 0.00 0.00 -0.166 F ENDBRANCH 29 36 ENDBRANCH 26 28 ENDBRANCH 2 24 TORSDOF 5