REMARK Name = BDB026099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.069 0.754 0.693 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.690 2.059 1.050 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.605 2.926 1.512 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.628 2.503 0.955 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.626 1.642 0.496 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.272 0.322 0.133 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.056 -0.107 0.229 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.984 2.029 0.394 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.623 2.196 1.722 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -5.062 2.769 1.567 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.961 1.724 0.881 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.055 4.122 0.951 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -6.282 4.503 0.268 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.849 4.382 0.140 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.227 3.148 -0.549 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 5.154 -0.530 0.919 0.00 0.00 +0.121 A ATOM 17 N LIG 1 4.851 0.701 0.460 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 3.546 1.077 0.402 0.00 0.00 +0.121 A ATOM 19 C LIG 1 2.466 0.293 0.793 0.00 0.00 +0.003 A ATOM 20 C LIG 1 2.800 -0.968 1.290 0.00 0.00 +0.013 A ATOM 21 C LIG 1 4.137 -1.375 1.358 0.00 0.00 +0.044 A BRANCH 16 28 ATOM 22 C LIG 1 7.358 -2.133 -1.806 0.00 0.00 +0.039 C ATOM 23 C LIG 1 7.951 -2.377 -0.420 0.00 0.00 +0.133 C ATOM 24 O LIG 1 9.087 -1.512 -0.250 0.00 0.00 -0.371 OA ATOM 25 C LIG 1 8.894 -0.464 0.717 0.00 0.00 +0.133 C ATOM 26 C LIG 1 9.950 0.600 0.451 0.00 0.00 +0.039 C ATOM 27 C LIG 1 7.475 0.131 0.654 0.00 0.00 +0.137 C ATOM 28 N LIG 1 6.488 -0.907 0.990 0.00 0.00 -0.310 N ATOM 29 C LIG 1 6.886 -2.291 0.700 0.00 0.00 +0.137 C ENDBRANCH 16 28 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 N LIG 1 -2.335 -0.485 -0.325 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.209 0.036 -0.381 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.313 -1.816 -0.654 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.360 -2.583 -0.576 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.656 -2.339 -1.052 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -4.435 -1.855 -2.182 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -5.631 -2.417 -2.438 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -6.171 -3.516 -1.593 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -7.277 -3.977 -1.859 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.352 -3.935 -0.551 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -5.790 -5.025 0.308 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -4.120 -3.352 -0.301 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -3.885 -0.774 -3.061 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -3.922 0.424 -2.420 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -2.590 -1.002 -3.395 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6