REMARK Name = BDB035409 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.865 -1.219 0.018 0.00 0.00 -0.027 A ATOM 2 C LIG 1 -1.477 -1.068 0.172 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -0.905 0.188 0.342 0.00 0.00 +0.130 A ATOM 4 N LIG 1 -1.655 1.312 0.340 0.00 0.00 -0.217 NA ATOM 5 C LIG 1 -2.986 1.204 0.188 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -3.609 -0.028 0.044 0.00 0.00 +0.048 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.479 0.357 0.530 0.00 0.00 -0.248 N ATOM 8 C LIG 1 1.446 -0.629 0.661 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.349 -1.843 0.663 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.729 0.066 0.836 0.00 0.00 +0.043 A ATOM 11 C LIG 1 3.991 -0.475 0.990 0.00 0.00 +0.018 A ATOM 12 C LIG 1 5.070 0.408 1.148 0.00 0.00 -0.032 A ATOM 13 C LIG 1 4.839 1.805 1.129 0.00 0.00 +0.017 A ATOM 14 C LIG 1 3.545 2.340 0.971 0.00 0.00 +0.061 A ATOM 15 C LIG 1 2.495 1.438 0.826 0.00 0.00 -0.006 A ATOM 16 C LIG 1 1.032 1.696 0.641 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 3.299 3.826 0.956 0.00 0.00 +0.418 C ATOM 18 F LIG 1 2.454 4.218 1.948 0.00 0.00 -0.166 F ATOM 19 F LIG 1 2.728 4.242 -0.208 0.00 0.00 -0.166 F ATOM 20 F LIG 1 4.429 4.568 1.107 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 6.476 -0.135 1.296 0.00 0.00 +0.116 C BRANCH 21 22 ATOM 22 N LIG 1 7.005 -0.527 -0.009 0.00 0.00 -0.307 NA ATOM 23 H LIG 1 6.819 0.220 -0.678 0.00 0.00 +0.123 HD BRANCH 22 24 ATOM 24 C LIG 1 8.418 -0.953 0.051 0.00 0.00 +0.017 C ATOM 25 C LIG 1 9.354 0.288 0.072 0.00 0.00 +0.022 C ATOM 26 C LIG 1 9.369 0.272 -1.469 0.00 0.00 +0.004 C ATOM 27 C LIG 1 8.885 -1.190 -1.415 0.00 0.00 +0.022 C ATOM 28 C LIG 1 8.705 -2.100 0.999 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 -3.576 -2.642 -0.158 0.00 0.00 +0.056 C ATOM 30 C LIG 1 -2.744 -3.853 -0.711 0.00 0.00 +0.022 C ATOM 31 C LIG 1 -3.977 -4.275 -1.543 0.00 0.00 -0.012 C ATOM 32 C LIG 1 -3.704 -4.818 -2.931 0.00 0.00 +0.007 C ATOM 33 C LIG 1 -4.449 -2.806 -1.458 0.00 0.00 +0.022 C BRANCH 29 36 ATOM 34 C LIG 1 -2.490 -3.108 2.856 0.00 0.00 +0.151 C ATOM 35 N LIG 1 -3.858 -3.201 2.426 0.00 0.00 -0.320 N ATOM 36 C LIG 1 -4.368 -3.012 1.170 0.00 0.00 +0.144 A ATOM 37 N LIG 1 -5.676 -3.168 1.217 0.00 0.00 -0.134 NA ATOM 38 N LIG 1 -6.024 -3.471 2.512 0.00 0.00 -0.138 NA ATOM 39 C LIG 1 -4.923 -3.483 3.225 0.00 0.00 +0.224 A ENDBRANCH 29 36 ENDBRANCH 1 29 BRANCH 5 40 ATOM 40 N LIG 1 -3.685 2.405 0.237 0.00 0.00 -0.326 N ATOM 41 H LIG 1 -2.968 3.125 0.294 0.00 0.00 +0.148 HD BRANCH 40 42 ATOM 42 C LIG 1 -4.695 2.647 -0.799 0.00 0.00 +0.072 C ATOM 43 C LIG 1 -4.477 4.053 -1.394 0.00 0.00 +0.022 C ATOM 44 C LIG 1 -5.760 4.612 -1.995 0.00 0.00 +0.002 C ATOM 45 C LIG 1 -6.850 4.781 -0.937 0.00 0.00 +0.000 C ATOM 46 C LIG 1 -6.715 3.808 0.236 0.00 0.00 +0.002 C ATOM 47 C LIG 1 -6.104 2.479 -0.197 0.00 0.00 +0.022 C ENDBRANCH 40 42 ENDBRANCH 5 40 TORSDOF 9