REMARK Name = BDB063800 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.021 1.508 -0.401 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.370 0.388 0.129 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.762 -0.749 0.320 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.990 0.812 0.485 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.015 0.057 1.026 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.235 0.698 1.281 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.380 2.073 0.973 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.325 2.827 0.425 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.125 2.163 0.188 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.159 2.683 -0.376 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.471 0.398 -1.478 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.132 0.397 -1.024 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.353 1.558 -0.894 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.936 2.774 -1.265 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.256 2.825 -1.712 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.009 1.656 -1.806 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.351 -0.946 -1.592 0.00 0.00 +0.058 C ATOM 18 C LIG 1 -4.639 -2.306 -1.927 0.00 0.00 +0.038 C ATOM 19 C LIG 1 -4.885 -1.992 -3.417 0.00 0.00 +0.083 C ATOM 20 CL LIG 1 -5.127 -3.351 -4.549 0.00 0.00 -0.122 Cl ATOM 21 C LIG 1 -6.110 -1.174 -2.958 0.00 0.00 +0.038 C BRANCH 17 24 ATOM 22 C LIG 1 -4.665 -1.526 1.512 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -5.972 -1.304 0.958 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.312 -1.054 -0.344 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -7.615 -0.881 -0.417 0.00 0.00 -0.134 NA ATOM 26 N LIG 1 -8.137 -1.033 0.845 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -7.139 -1.283 1.659 0.00 0.00 +0.224 A ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 2.482 4.287 0.095 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.535 5.054 0.705 0.00 0.00 -0.166 F ATOM 30 F LIG 1 3.683 4.811 0.458 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.348 4.528 -1.238 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 4.403 -0.074 1.858 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.441 -0.255 0.842 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.004 -0.644 0.006 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 6.580 -1.044 1.343 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.451 -1.426 0.107 0.00 0.00 +0.022 C ATOM 37 C LIG 1 7.502 -2.862 0.671 0.00 0.00 +0.004 C ATOM 38 C LIG 1 6.195 -2.548 1.429 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.343 -0.409 2.492 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7