REMARK Name = BDB036005 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.072 -1.354 0.005 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -3.280 -1.436 1.406 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -2.234 -1.236 2.328 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.975 -0.951 1.808 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.314 -0.694 2.519 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.254 -0.433 1.436 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.639 -0.563 0.187 0.00 0.00 +0.251 C ATOM 8 O LIG 1 1.091 -0.477 -0.941 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.773 -0.875 0.435 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -1.788 -1.072 -0.484 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.617 -0.107 1.680 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.476 0.278 0.639 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.835 0.578 0.858 0.00 0.00 -0.035 A ATOM 14 C LIG 1 5.328 0.485 2.168 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.490 0.127 3.219 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.145 -0.162 2.977 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.804 0.969 -0.257 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 6.718 -0.155 -0.668 0.00 0.00 +0.141 A ATOM 19 N LIG 1 6.367 -1.415 -1.089 0.00 0.00 -0.320 N ATOM 20 C LIG 1 5.061 -1.999 -1.234 0.00 0.00 +0.151 C ATOM 21 C LIG 1 7.537 -2.066 -1.349 0.00 0.00 +0.224 A ATOM 22 N LIG 1 8.549 -1.269 -1.110 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 8.037 -0.071 -0.681 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 5.121 1.620 -1.475 0.00 0.00 +0.004 C ATOM 25 C LIG 1 4.415 2.990 -1.240 0.00 0.00 +0.004 C ATOM 26 C LIG 1 5.701 3.683 -1.722 0.00 0.00 +0.001 C ATOM 27 C LIG 1 6.054 2.383 -2.464 0.00 0.00 +0.004 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 -2.464 -1.310 3.812 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -2.259 -0.111 4.423 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -1.610 -2.181 4.420 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -3.716 -1.706 4.163 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 33 ATOM 32 C LIG 1 -4.515 -3.094 -0.997 0.00 0.00 +0.029 C ATOM 33 C LIG 1 -4.228 -1.580 -0.974 0.00 0.00 +0.084 C BRANCH 33 34 ATOM 34 N LIG 1 -5.413 -0.761 -0.622 0.00 0.00 -0.295 NA ATOM 35 C LIG 1 -5.162 0.682 -0.738 0.00 0.00 +0.088 C ATOM 36 C LIG 1 -6.273 1.464 -0.006 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -6.238 2.935 -0.424 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -7.667 0.852 -0.230 0.00 0.00 +0.006 C ATOM 39 C LIG 1 -7.683 -0.029 -1.470 0.00 0.00 +0.016 C ATOM 40 C LIG 1 -6.616 -1.132 -1.393 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 7