REMARK Name = BDB025867 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.580 -0.653 0.731 0.00 0.00 +0.015 A ATOM 2 C LIG 1 -0.183 -1.776 1.068 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.409 -2.904 1.492 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.577 -1.771 0.987 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.271 -0.640 0.557 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.509 0.526 0.278 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.109 0.506 0.344 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.659 -0.628 0.406 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -4.545 -1.278 1.386 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -5.322 -2.523 0.854 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.594 -3.837 1.169 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.807 -2.384 -0.535 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.549 -3.529 -1.041 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.834 -1.819 -1.489 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.746 -2.771 -2.001 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -4.207 -0.503 -0.959 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 21 ATOM 17 C LIG 1 6.262 -0.304 0.793 0.00 0.00 +0.403 C ATOM 18 N LIG 1 4.898 -0.517 0.900 0.00 0.00 -0.263 N ATOM 19 C LIG 1 4.149 0.244 1.891 0.00 0.00 +0.116 C ATOM 20 C LIG 1 2.736 0.566 1.405 0.00 0.00 +0.054 C ATOM 21 C LIG 1 2.058 -0.648 0.818 0.00 0.00 -0.038 C ATOM 22 C LIG 1 2.798 -1.681 0.373 0.00 0.00 -0.004 C ATOM 23 C LIG 1 4.297 -1.747 0.404 0.00 0.00 +0.138 C ATOM 24 O LIG 1 6.862 0.606 1.353 0.00 0.00 -0.226 OA BRANCH 17 25 ATOM 25 O LIG 1 6.868 -1.224 -0.008 0.00 0.00 -0.450 OA BRANCH 25 26 ATOM 26 C LIG 1 8.284 -1.065 -0.194 0.00 0.00 +0.236 C BRANCH 26 28 ATOM 27 C LIG 1 7.972 -0.532 -2.648 0.00 0.00 +0.010 C ATOM 28 C LIG 1 8.585 -0.071 -1.324 0.00 0.00 +0.021 C ATOM 29 C LIG 1 10.093 0.120 -1.474 0.00 0.00 +0.010 C ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 17 25 ENDBRANCH 1 21 BRANCH 6 30 ATOM 30 N LIG 1 -2.247 1.703 0.011 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.246 1.567 0.137 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.778 2.965 -0.256 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.619 3.335 -0.367 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.882 3.955 -0.397 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.154 4.969 0.615 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.172 5.831 0.425 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.000 5.764 -0.805 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.929 6.539 -0.990 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.658 4.782 -1.702 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -5.215 4.750 -2.549 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.624 3.899 -1.515 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.301 4.998 1.847 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.247 3.785 2.454 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.031 5.388 1.592 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.788 5.863 2.778 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 8