REMARK Name = BDB009477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.835 1.723 0.958 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.055 2.310 2.201 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.242 2.057 3.238 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.136 3.166 2.393 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.992 3.452 1.326 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.761 2.897 0.057 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.673 2.031 -0.120 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 8 C LIG 1 -0.596 -0.864 2.353 0.00 0.00 +0.132 C ATOM 9 N LIG 1 0.459 -0.326 1.500 0.00 0.00 -0.297 N ATOM 10 C LIG 1 0.315 0.831 0.729 0.00 0.00 +0.249 C ATOM 11 O LIG 1 1.095 1.165 -0.162 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 1.690 -1.133 1.406 0.00 0.00 +0.079 C ATOM 13 C LIG 1 1.829 -1.849 0.058 0.00 0.00 +0.041 C ATOM 14 C LIG 1 3.080 -2.721 0.038 0.00 0.00 +0.110 C ATOM 15 N LIG 1 4.275 -1.970 0.414 0.00 0.00 -0.297 N ATOM 16 C LIG 1 5.497 -2.472 -0.051 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.604 -3.539 -0.651 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 4.184 -1.247 1.687 0.00 0.00 +0.110 C ATOM 19 C LIG 1 2.962 -0.339 1.736 0.00 0.00 +0.041 C BRANCH 16 20 ATOM 20 C LIG 1 6.718 -1.667 0.144 0.00 0.00 +0.055 A ATOM 21 C LIG 1 7.897 -2.300 0.511 0.00 0.00 +0.123 A ATOM 22 N LIG 1 9.072 -1.648 0.699 0.00 0.00 -0.263 NA ATOM 23 C LIG 1 9.068 -0.315 0.474 0.00 0.00 +0.111 A ATOM 24 C LIG 1 7.947 0.398 0.073 0.00 0.00 +0.020 A ATOM 25 C LIG 1 6.751 -0.293 -0.101 0.00 0.00 +0.016 A ENDBRANCH 16 20 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 6 26 ATOM 26 C LIG 1 -3.695 3.205 -1.091 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 -4.918 2.297 -1.092 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -4.853 0.980 -1.818 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -3.734 0.605 -2.553 0.00 0.00 -0.342 N ATOM 30 H LIG 1 -3.302 1.355 -3.086 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 -3.635 -0.713 -3.170 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -5.016 -1.204 -3.592 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -6.009 -1.131 -2.425 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -5.930 0.188 -1.707 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -7.105 0.623 -0.921 0.00 0.00 +0.270 A ATOM 36 O LIG 1 -8.090 -0.094 -0.781 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -7.031 1.877 -0.375 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -7.827 2.192 0.170 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -5.957 2.710 -0.425 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5