REMARK Name = BDB026151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.519 -0.524 0.208 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.778 0.030 0.031 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.894 -0.796 -0.138 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -1.754 -2.191 -0.113 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.477 -2.728 0.072 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -0.298 -4.058 0.097 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.644 -1.914 0.230 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 4.058 0.227 -2.615 0.00 0.00 +0.026 C ATOM 9 C LIG 1 3.461 -0.247 -1.280 0.00 0.00 +0.071 C ATOM 10 N LIG 1 4.471 -0.278 -0.178 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 5.590 -1.170 -0.505 0.00 0.00 +0.105 C ATOM 12 C LIG 1 3.811 -0.684 1.100 0.00 0.00 +0.071 C ATOM 13 C LIG 1 4.767 -0.584 2.302 0.00 0.00 +0.026 C ATOM 14 C LIG 1 2.551 0.165 1.448 0.00 0.00 +0.123 C ATOM 15 N LIG 1 1.609 0.355 0.331 0.00 0.00 -0.325 N ATOM 16 C LIG 1 2.269 0.693 -0.947 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 -2.928 -3.071 -0.292 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -3.959 -2.967 0.567 0.00 0.00 +0.097 A ATOM 19 N LIG 1 -5.091 -3.761 0.459 0.00 0.00 -0.318 N ATOM 20 C LIG 1 -6.160 -3.577 1.427 0.00 0.00 +0.152 C ATOM 21 C LIG 1 -5.236 -4.720 -0.540 0.00 0.00 +0.251 A ATOM 22 O LIG 1 -6.212 -5.451 -0.685 0.00 0.00 -0.268 OA ATOM 23 C LIG 1 -4.097 -4.839 -1.488 0.00 0.00 +0.071 A ATOM 24 C LIG 1 -3.020 -4.055 -1.356 0.00 0.00 +0.015 A ENDBRANCH 4 17 BRANCH 2 25 ATOM 25 N LIG 1 -0.846 1.441 0.066 0.00 0.00 -0.280 N ATOM 26 H LIG 1 0.070 1.861 0.215 0.00 0.00 +0.155 HD ATOM 27 C LIG 1 -1.961 2.238 0.015 0.00 0.00 +0.250 C ATOM 28 O LIG 1 -3.131 1.888 -0.069 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 -1.631 3.686 0.140 0.00 0.00 +0.065 A ATOM 30 C LIG 1 -0.985 4.466 -0.909 0.00 0.00 +0.073 A ATOM 31 C LIG 1 -0.745 5.776 -0.700 0.00 0.00 +0.083 A ATOM 32 C LIG 1 -1.128 6.423 0.580 0.00 0.00 +0.249 A ATOM 33 O LIG 1 -0.900 7.607 0.784 0.00 0.00 -0.268 OA ATOM 34 N LIG 1 -1.744 5.608 1.497 0.00 0.00 -0.328 N ATOM 35 H LIG 1 -2.024 6.053 2.364 0.00 0.00 +0.168 HD ATOM 36 C LIG 1 -2.001 4.276 1.289 0.00 0.00 +0.099 A BRANCH 30 37 ATOM 37 C LIG 1 -0.638 3.794 -2.200 0.00 0.00 +0.418 C ATOM 38 F LIG 1 -1.681 3.119 -2.737 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -0.219 4.676 -3.145 0.00 0.00 -0.166 F ATOM 40 F LIG 1 0.377 2.907 -2.036 0.00 0.00 -0.166 F ENDBRANCH 30 37 ENDBRANCH 27 29 ENDBRANCH 2 25 TORSDOF 5