REMARK Name = BDB022524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.631 0.548 -1.106 0.00 0.00 -0.013 A ATOM 2 C LIG 1 0.625 -0.411 -0.889 0.00 0.00 +0.033 A ATOM 3 C LIG 1 -0.674 -0.028 -0.546 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -1.010 1.339 -0.424 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -0.011 2.295 -0.632 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.288 1.903 -0.968 0.00 0.00 +0.010 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.975 -1.280 -1.040 0.00 0.00 -0.033 A ATOM 8 C LIG 1 3.662 -0.876 -0.732 0.00 0.00 +0.016 A ATOM 9 C LIG 1 3.007 0.140 -1.455 0.00 0.00 +0.018 A ATOM 10 C LIG 1 3.717 0.739 -2.506 0.00 0.00 +0.131 A ATOM 11 F LIG 1 3.151 1.709 -3.242 0.00 0.00 -0.205 F ATOM 12 C LIG 1 5.015 0.350 -2.832 0.00 0.00 +0.039 A ATOM 13 C LIG 1 5.643 -0.657 -2.103 0.00 0.00 +0.008 A BRANCH 7 14 ATOM 14 C LIG 1 5.650 -2.376 -0.240 0.00 0.00 +0.119 C BRANCH 14 16 ATOM 15 C LIG 1 5.575 -1.377 1.993 0.00 0.00 +0.104 C ATOM 16 N LIG 1 6.409 -1.960 0.948 0.00 0.00 -0.304 NA ATOM 17 C LIG 1 7.550 -1.106 0.641 0.00 0.00 +0.104 C ENDBRANCH 14 16 ENDBRANCH 7 14 ENDBRANCH 1 9 BRANCH 4 18 ATOM 18 N LIG 1 -2.340 1.679 -0.071 0.00 0.00 -0.326 N ATOM 19 C LIG 1 -3.017 2.529 -1.079 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -4.327 3.111 -0.502 0.00 0.00 +0.103 C ATOM 21 N LIG 1 -4.155 3.944 0.709 0.00 0.00 -0.302 NA ATOM 22 C LIG 1 -4.272 5.369 0.412 0.00 0.00 +0.105 C ATOM 23 C LIG 1 -2.873 3.658 1.391 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -2.459 2.171 1.328 0.00 0.00 +0.120 C ENDBRANCH 4 18 BRANCH 3 25 ATOM 25 N LIG 1 -1.728 -0.933 -0.298 0.00 0.00 -0.280 N ATOM 26 H LIG 1 -2.591 -0.443 -0.064 0.00 0.00 +0.155 HD ATOM 27 C LIG 1 -1.701 -2.302 -0.334 0.00 0.00 +0.250 C ATOM 28 O LIG 1 -0.762 -3.032 -0.621 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 -3.026 -2.900 -0.005 0.00 0.00 +0.065 A ATOM 30 C LIG 1 -3.601 -2.905 1.335 0.00 0.00 +0.073 A ATOM 31 C LIG 1 -4.806 -3.479 1.529 0.00 0.00 +0.083 A ATOM 32 C LIG 1 -5.542 -4.098 0.398 0.00 0.00 +0.249 A ATOM 33 O LIG 1 -6.642 -4.609 0.562 0.00 0.00 -0.268 OA ATOM 34 N LIG 1 -4.908 -4.057 -0.819 0.00 0.00 -0.328 N ATOM 35 H LIG 1 -5.402 -4.495 -1.589 0.00 0.00 +0.168 HD ATOM 36 C LIG 1 -3.679 -3.480 -1.024 0.00 0.00 +0.099 A BRANCH 30 37 ATOM 37 C LIG 1 -2.818 -2.304 2.460 0.00 0.00 +0.418 C ATOM 38 F LIG 1 -3.393 -2.541 3.670 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -1.555 -2.786 2.536 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -2.732 -0.955 2.342 0.00 0.00 -0.166 F ENDBRANCH 30 37 ENDBRANCH 27 29 ENDBRANCH 3 25 TORSDOF 7