REMARK Name = BDB035324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.388 -0.386 1.519 0.00 0.00 +0.141 A ATOM 2 N LIG 1 -0.630 0.087 2.770 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -1.879 0.059 3.298 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -2.943 -0.461 2.575 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -2.729 -0.973 1.297 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -1.427 -0.939 0.779 0.00 0.00 +0.055 A ENDROOT BRANCH 1 16 ATOM 7 C LIG 1 4.373 0.656 2.549 0.00 0.00 +0.047 C ATOM 8 C LIG 1 3.284 0.241 1.616 0.00 0.00 -0.006 A ATOM 9 C LIG 1 3.667 -0.036 0.286 0.00 0.00 +0.099 A ATOM 10 C LIG 1 2.712 -0.408 -0.615 0.00 0.00 +0.132 A ATOM 11 N LIG 1 3.396 -0.589 -1.780 0.00 0.00 -0.336 N ATOM 12 H LIG 1 3.026 -0.881 -2.676 0.00 0.00 +0.167 HD ATOM 13 C LIG 1 4.727 -0.322 -1.525 0.00 0.00 +0.125 A ATOM 14 C LIG 1 1.310 -0.551 -0.326 0.00 0.00 +0.282 A ATOM 15 O LIG 1 0.533 -0.856 -1.226 0.00 0.00 -0.265 OA ATOM 16 N LIG 1 0.974 -0.288 1.039 0.00 0.00 -0.266 N ATOM 17 N LIG 1 4.911 0.018 -0.258 0.00 0.00 -0.230 NA ATOM 18 C LIG 1 1.984 0.116 1.951 0.00 0.00 +0.101 A BRANCH 13 19 ATOM 19 C LIG 1 5.765 -0.412 -2.596 0.00 0.00 +0.120 C ATOM 20 N LIG 1 5.365 -1.359 -3.657 0.00 0.00 -0.307 NA ATOM 21 H LIG 1 5.712 -2.289 -3.424 0.00 0.00 +0.123 HD ATOM 22 C LIG 1 5.994 -0.868 -4.880 0.00 0.00 +0.081 C ATOM 23 C LIG 1 5.776 0.627 -4.785 0.00 0.00 +0.017 C ATOM 24 C LIG 1 5.981 0.928 -3.307 0.00 0.00 +0.028 C ENDBRANCH 13 19 ENDBRANCH 1 16 BRANCH 5 25 ATOM 25 C LIG 1 -3.835 -1.536 0.506 0.00 0.00 -0.005 A ATOM 26 C LIG 1 -4.877 -0.745 -0.022 0.00 0.00 +0.047 A ATOM 27 C LIG 1 -5.910 -1.304 -0.781 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -5.903 -2.669 -1.025 0.00 0.00 +0.124 A ATOM 29 F LIG 1 -6.885 -3.214 -1.754 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -4.890 -3.480 -0.527 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -3.862 -2.917 0.234 0.00 0.00 +0.012 A BRANCH 26 32 ATOM 32 C LIG 1 -4.923 0.711 0.210 0.00 0.00 +0.247 C ATOM 33 N LIG 1 -4.442 1.497 -0.804 0.00 0.00 -0.292 N ATOM 34 C LIG 1 -3.494 1.206 -1.869 0.00 0.00 +0.146 C ATOM 35 C LIG 1 -3.428 2.727 -2.102 0.00 0.00 +0.200 C ATOM 36 F LIG 1 -2.194 3.253 -2.280 0.00 0.00 -0.242 F ATOM 37 C LIG 1 -4.047 2.895 -0.704 0.00 0.00 +0.146 C ATOM 38 O LIG 1 -5.411 1.138 1.249 0.00 0.00 -0.270 OA ENDBRANCH 26 32 ENDBRANCH 5 25 BRANCH 3 39 ATOM 39 C LIG 1 -2.090 0.624 4.682 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -2.493 -0.286 5.819 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -1.114 0.298 5.789 0.00 0.00 +0.010 C ENDBRANCH 3 39 TORSDOF 5