REMARK Name = BDB026038 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.147 0.807 -0.444 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.601 2.099 -0.526 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.404 3.159 -0.711 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.767 2.340 -0.410 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.649 1.279 -0.200 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.126 -0.031 -0.109 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.249 -0.258 -0.235 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.046 1.458 -0.060 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.401 2.123 1.219 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.923 2.452 1.261 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.731 1.142 1.317 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.311 3.406 0.190 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -6.708 3.358 -0.213 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.387 3.395 -0.961 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.705 2.042 -1.256 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 5.314 0.108 -0.803 0.00 0.00 +0.218 A ATOM 17 N LIG 1 4.736 1.008 -1.610 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 3.405 1.216 -1.476 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.592 0.567 -0.569 0.00 0.00 +0.021 A ATOM 20 C LIG 1 3.288 -0.338 0.208 0.00 0.00 +0.124 A ATOM 21 N LIG 1 4.615 -0.579 0.114 0.00 0.00 -0.222 NA BRANCH 16 27 ATOM 22 C LIG 1 9.505 -1.916 0.887 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.809 -1.071 -0.171 0.00 0.00 +0.133 C ATOM 24 O LIG 1 9.489 0.199 -0.227 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 8.651 1.280 -0.667 0.00 0.00 +0.179 C ATOM 26 C LIG 1 7.510 0.850 -1.602 0.00 0.00 +0.136 C ATOM 27 N LIG 1 6.665 -0.144 -0.935 0.00 0.00 -0.295 N ATOM 28 C LIG 1 7.300 -0.933 0.124 0.00 0.00 +0.139 C ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -2.081 -1.050 0.097 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.029 -0.673 0.122 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.858 -2.385 0.322 0.00 0.00 +0.249 C ATOM 32 O LIG 1 -0.782 -2.954 0.443 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.092 -3.188 0.501 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -4.085 -3.285 -0.491 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -5.229 -4.056 -0.215 0.00 0.00 +0.051 A ATOM 36 C LIG 1 -5.354 -4.724 1.000 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -6.450 -5.454 1.239 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -4.358 -4.650 1.964 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -3.221 -3.884 1.714 0.00 0.00 +0.016 A BRANCH 34 40 ATOM 40 C LIG 1 -3.953 -2.596 -1.821 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -2.722 -2.714 -2.382 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.827 -3.070 -2.754 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.213 -1.263 -1.729 0.00 0.00 -0.166 F ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6