REMARK Name = BDB035741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.684 1.054 -1.549 0.00 0.00 -0.035 A ATOM 2 C LIG 1 2.430 0.485 -1.243 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.228 1.195 -1.405 0.00 0.00 +0.037 A ATOM 4 C LIG 1 1.310 2.505 -1.885 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.543 3.089 -2.192 0.00 0.00 +0.002 A ATOM 6 C LIG 1 3.723 2.369 -2.026 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.018 0.588 -1.084 0.00 0.00 -0.263 N ATOM 8 C LIG 1 -1.285 1.166 -1.216 0.00 0.00 +0.251 C ATOM 9 O LIG 1 -1.629 2.258 -1.630 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.260 0.172 -0.748 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -3.637 0.278 -0.679 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -4.359 -0.824 -0.198 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -3.666 -1.988 0.210 0.00 0.00 +0.017 A ATOM 14 C LIG 1 -2.261 -2.079 0.136 0.00 0.00 +0.061 A ATOM 15 C LIG 1 -1.575 -0.971 -0.355 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -0.107 -0.766 -0.549 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 -1.525 -3.320 0.563 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -2.335 -4.288 1.070 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -0.850 -3.895 -0.469 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -0.595 -3.064 1.523 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 -5.866 -0.747 -0.085 0.00 0.00 +0.116 C BRANCH 21 22 ATOM 22 N LIG 1 -6.242 0.016 1.103 0.00 0.00 -0.307 NA ATOM 23 H LIG 1 -5.870 -0.448 1.930 0.00 0.00 +0.123 HD BRANCH 22 24 ATOM 24 C LIG 1 -7.685 0.286 1.168 0.00 0.00 +0.017 C ATOM 25 C LIG 1 -7.888 1.366 2.273 0.00 0.00 +0.022 C ATOM 26 C LIG 1 -8.808 2.112 1.284 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -8.059 1.393 0.142 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -8.566 -0.943 1.286 0.00 0.00 +0.027 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 1 29 ATOM 29 C LIG 1 4.980 0.267 -1.388 0.00 0.00 +0.090 C BRANCH 29 32 ATOM 30 C LIG 1 4.798 -0.630 -4.370 0.00 0.00 +0.151 C ATOM 31 N LIG 1 4.784 -1.498 -3.223 0.00 0.00 -0.320 N ATOM 32 C LIG 1 4.862 -1.145 -1.898 0.00 0.00 +0.141 A ATOM 33 N LIG 1 4.783 -2.245 -1.173 0.00 0.00 -0.134 NA ATOM 34 N LIG 1 4.658 -3.316 -2.024 0.00 0.00 -0.138 NA ATOM 35 C LIG 1 4.659 -2.852 -3.250 0.00 0.00 +0.224 A ENDBRANCH 29 32 BRANCH 29 36 ATOM 36 C LIG 1 5.512 0.294 0.057 0.00 0.00 +0.004 C ATOM 37 C LIG 1 5.723 1.652 0.783 0.00 0.00 +0.008 C ATOM 38 C LIG 1 5.413 0.931 2.123 0.00 0.00 -0.002 C ATOM 39 C LIG 1 4.656 -0.136 1.285 0.00 0.00 +0.008 C BRANCH 38 40 ATOM 40 C LIG 1 6.636 0.467 2.914 0.00 0.00 +0.117 C BRANCH 40 41 ATOM 41 C LIG 1 6.229 -0.210 4.206 0.00 0.00 +0.390 C ATOM 42 F LIG 1 7.326 -0.587 4.901 0.00 0.00 -0.171 F ATOM 43 F LIG 1 5.487 -1.313 3.987 0.00 0.00 -0.171 F ATOM 44 F LIG 1 5.518 0.625 4.994 0.00 0.00 -0.171 F ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 29 36 ENDBRANCH 1 29 TORSDOF 10