REMARK Name = BDB022482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.560 1.521 0.285 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -1.374 0.143 0.542 0.00 0.00 +0.055 A ATOM 3 C LIG 1 -0.168 -0.318 1.077 0.00 0.00 +0.033 A ATOM 4 C LIG 1 0.883 0.571 1.367 0.00 0.00 -0.016 A ATOM 5 C LIG 1 0.686 1.937 1.106 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -0.518 2.408 0.575 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.706 4.566 -1.381 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -4.266 4.324 -1.383 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -3.708 4.288 -0.013 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -3.553 2.881 0.608 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -2.797 1.945 -0.264 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -2.642 2.411 -1.667 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -3.946 3.089 -2.136 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 C LIG 1 2.158 0.082 1.923 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.842 -0.995 1.330 0.00 0.00 +0.013 A ATOM 16 C LIG 1 4.064 -1.469 1.839 0.00 0.00 -0.033 A ATOM 17 C LIG 1 4.598 -0.856 2.979 0.00 0.00 +0.005 A ATOM 18 C LIG 1 3.936 0.209 3.586 0.00 0.00 +0.001 A ATOM 19 C LIG 1 2.729 0.674 3.060 0.00 0.00 +0.008 A BRANCH 16 20 ATOM 20 C LIG 1 4.778 -2.626 1.169 0.00 0.00 +0.119 C BRANCH 20 21 ATOM 21 N LIG 1 5.746 -2.277 0.125 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 5.157 -1.735 -1.098 0.00 0.00 +0.087 C ATOM 23 C LIG 1 6.237 -1.228 -2.045 0.00 0.00 +0.052 C ATOM 24 C LIG 1 7.015 -0.084 -1.406 0.00 0.00 +0.168 C ATOM 25 F LIG 1 8.289 -0.118 -1.893 0.00 0.00 -0.245 F ATOM 26 C LIG 1 7.069 -0.164 0.115 0.00 0.00 +0.052 C ATOM 27 C LIG 1 6.964 -1.610 0.587 0.00 0.00 +0.087 C ENDBRANCH 20 21 ENDBRANCH 16 20 ENDBRANCH 4 14 BRANCH 2 28 ATOM 28 N LIG 1 -2.475 -0.685 0.234 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -3.256 -0.142 -0.132 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -2.590 -2.041 0.397 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -1.755 -2.818 0.842 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -3.938 -2.551 0.016 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -4.447 -2.580 -1.351 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -5.675 -3.086 -1.583 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -6.506 -3.605 -0.468 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -7.629 -4.049 -0.669 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -5.933 -3.549 0.777 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -6.490 -3.922 1.538 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -4.679 -3.045 1.021 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -3.578 -2.078 -2.460 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -2.332 -2.606 -2.434 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.093 -2.362 -3.686 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.451 -0.727 -2.411 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 7