REMARK Name = BDB029307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.180 -0.279 -0.593 0.00 0.00 -0.032 A ATOM 2 C LIG 1 4.466 -1.114 0.517 0.00 0.00 +0.017 A ATOM 3 C LIG 1 3.451 -1.592 1.368 0.00 0.00 +0.061 A ATOM 4 C LIG 1 2.144 -1.212 1.076 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.872 -1.544 1.785 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.148 -0.856 1.002 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.421 -0.165 -0.073 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.081 0.524 -0.942 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.869 -0.399 -0.017 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.853 0.077 -0.864 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.528 -0.913 1.340 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.507 -0.262 0.571 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.889 -0.286 0.883 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -4.258 -1.034 2.014 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.312 -1.693 2.796 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.959 -1.630 2.462 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -4.991 0.488 -0.052 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -6.159 1.210 0.735 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -5.258 2.469 0.794 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -4.589 1.953 -0.501 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -5.948 3.736 0.703 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -6.510 4.750 0.661 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -5.392 -0.492 -1.174 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 -6.497 -0.045 -2.067 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -7.792 -0.495 -2.018 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -8.354 -1.464 -1.117 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -8.461 0.163 -3.003 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -7.635 0.962 -3.633 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -6.398 0.825 -3.052 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 3.758 -2.464 2.555 0.00 0.00 +0.418 C ATOM 31 F LIG 1 3.032 -3.617 2.543 0.00 0.00 -0.166 F ATOM 32 F LIG 1 5.060 -2.841 2.647 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.452 -1.852 3.732 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 5.303 0.206 -1.492 0.00 0.00 +0.119 C BRANCH 34 36 ATOM 35 C LIG 1 5.882 2.250 -0.374 0.00 0.00 +0.105 C ATOM 36 N LIG 1 6.370 0.906 -0.736 0.00 0.00 -0.298 NA BRANCH 36 37 ATOM 37 C LIG 1 7.574 1.033 -1.587 0.00 0.00 +0.068 C ATOM 38 C LIG 1 8.787 1.514 -0.751 0.00 0.00 +0.094 C ATOM 39 C LIG 1 9.190 0.048 -0.515 0.00 0.00 +0.252 C ATOM 40 F LIG 1 8.835 -0.476 0.681 0.00 0.00 -0.206 F ATOM 41 F LIG 1 10.506 -0.222 -0.677 0.00 0.00 -0.206 F ATOM 42 C LIG 1 8.291 -0.337 -1.704 0.00 0.00 +0.094 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 1 34 TORSDOF 9