REMARK Name = BDB036024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.228 -1.188 0.742 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.235 -2.340 -0.081 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.090 -2.746 -0.795 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.943 -1.968 -0.659 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.403 -2.136 -1.285 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.175 -1.024 -0.747 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.393 -0.227 0.098 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.659 0.789 0.711 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.942 -0.839 0.149 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.057 -0.425 0.853 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.542 -0.817 -1.083 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.301 0.216 -0.510 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.662 0.461 -0.829 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -5.239 -0.406 -1.774 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.515 -1.447 -2.353 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.180 -1.651 -2.008 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.466 1.679 -0.130 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -4.881 3.114 -0.417 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -5.954 3.286 -1.509 0.00 0.00 +0.117 C ATOM 20 C LIG 1 -6.786 2.211 -0.787 0.00 0.00 +0.050 C BRANCH 17 21 ATOM 21 C LIG 1 -5.673 1.393 1.414 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -6.285 0.313 1.990 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.880 -0.821 1.341 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.234 0.524 3.334 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -5.641 1.668 3.576 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -5.285 2.216 2.367 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 O LIG 1 -5.568 2.989 -2.867 0.00 0.00 -0.392 OA ATOM 28 H LIG 1 -4.844 2.341 -2.809 0.00 0.00 +0.210 HD ENDBRANCH 19 27 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 2.096 -3.968 -1.672 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.293 -4.613 -1.712 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.781 -3.675 -2.964 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.181 -4.893 -1.271 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 4.479 -0.769 1.491 0.00 0.00 +0.119 C BRANCH 33 37 ATOM 34 C LIG 1 7.997 -0.500 1.710 0.00 0.00 +0.009 C ATOM 35 C LIG 1 7.492 0.936 1.540 0.00 0.00 +0.000 C ATOM 36 C LIG 1 6.013 1.086 1.932 0.00 0.00 +0.088 C ATOM 37 N LIG 1 5.039 0.496 1.005 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 5.500 0.427 -0.386 0.00 0.00 +0.085 C ATOM 39 C LIG 1 6.479 1.546 -0.729 0.00 0.00 +0.016 C ATOM 40 C LIG 1 7.750 1.458 0.116 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 7