REMARK Name = BDB036009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.828 -1.060 -0.153 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.318 -0.769 -1.441 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.949 -0.510 -1.655 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.109 -0.559 -0.546 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.367 -0.336 -0.455 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.654 -0.521 0.962 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.506 -0.831 1.680 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.679 -1.065 2.862 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.613 -0.848 0.716 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.954 -1.100 0.943 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.968 -0.390 1.491 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.054 -0.089 0.649 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.389 0.045 1.107 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.592 -0.133 2.485 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.535 -0.427 3.346 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.237 -0.555 2.850 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.576 0.366 0.075 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -6.958 0.875 0.615 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -7.022 1.856 -0.580 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -7.602 3.228 -0.301 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.481 1.760 -0.649 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -5.736 -0.850 -0.938 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -6.046 -2.149 -0.641 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.299 -2.730 0.648 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -6.040 -2.817 -1.827 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -5.740 -1.986 -2.797 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -5.542 -0.747 -2.238 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 1.408 -0.201 -3.025 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.371 -0.103 -3.982 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.725 0.975 -3.056 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.538 -1.152 -3.460 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 5.307 -1.331 0.046 0.00 0.00 +0.119 C BRANCH 32 40 ATOM 33 C LIG 1 7.104 2.631 -1.213 0.00 0.00 +0.015 C ATOM 34 C LIG 1 7.041 1.177 -0.746 0.00 0.00 +0.069 C ATOM 35 C LIG 1 8.403 0.691 -0.267 0.00 0.00 +0.254 C ATOM 36 F LIG 1 9.286 0.716 -1.298 0.00 0.00 -0.205 F ATOM 37 F LIG 1 8.893 1.537 0.677 0.00 0.00 -0.205 F ATOM 38 C LIG 1 8.353 -0.711 0.306 0.00 0.00 +0.091 C ATOM 39 C LIG 1 7.279 -0.798 1.384 0.00 0.00 +0.090 C ATOM 40 N LIG 1 5.954 -0.351 0.931 0.00 0.00 -0.298 NA ATOM 41 C LIG 1 6.019 1.013 0.384 0.00 0.00 +0.093 C ENDBRANCH 32 40 ENDBRANCH 1 32 TORSDOF 6