REMARK Name = BDB036042 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.671 -0.659 -0.640 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.126 -0.229 -1.873 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.734 -0.145 -2.080 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.907 -0.502 -1.018 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.585 -0.508 -0.928 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.845 -0.982 0.426 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.347 -1.240 1.111 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.550 -1.643 2.242 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.447 -0.931 0.188 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.809 -1.022 0.406 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.164 -1.140 0.934 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.282 -0.829 0.138 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.623 -0.947 0.586 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.798 -1.414 1.900 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.710 -1.739 2.708 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.407 -1.601 2.228 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.843 -0.542 -0.376 0.00 0.00 +0.066 C ATOM 18 C LIG 1 -6.010 -1.431 -1.656 0.00 0.00 +0.095 C ATOM 19 C LIG 1 -7.535 -1.333 -1.488 0.00 0.00 +0.251 C ATOM 20 F LIG 1 -8.158 -0.379 -2.213 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -8.217 -2.481 -1.697 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -7.294 -0.979 -0.007 0.00 0.00 +0.095 C BRANCH 17 23 ATOM 23 C LIG 1 -5.744 1.008 -0.712 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -5.804 2.062 0.159 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.976 2.029 1.585 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -5.623 3.180 -0.595 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -5.452 2.841 -1.851 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -5.521 1.471 -1.924 0.00 0.00 -0.134 NA ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 1.159 0.335 -3.386 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.584 1.562 -3.271 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.082 0.439 -4.380 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.188 -0.492 -3.860 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 5.174 -0.746 -0.451 0.00 0.00 +0.119 C BRANCH 33 39 ATOM 34 C LIG 1 9.113 0.264 2.345 0.00 0.00 +0.039 C ATOM 35 C LIG 1 7.747 0.739 1.866 0.00 0.00 +0.129 C ATOM 36 O LIG 1 7.958 1.920 1.071 0.00 0.00 -0.374 OA ATOM 37 C LIG 1 6.946 2.124 0.077 0.00 0.00 +0.175 C ATOM 38 C LIG 1 5.589 1.507 0.452 0.00 0.00 +0.113 C ATOM 39 N LIG 1 5.650 0.049 0.687 0.00 0.00 -0.294 NA ATOM 40 C LIG 1 7.018 -0.364 1.073 0.00 0.00 +0.116 C ENDBRANCH 33 39 ENDBRANCH 1 33 TORSDOF 6