REMARK Name = BDB027330 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.238 -0.601 1.088 0.00 0.00 +0.109 A ATOM 2 C LIG 1 1.325 0.409 1.391 0.00 0.00 +0.156 A ATOM 3 F LIG 1 1.651 1.361 2.280 0.00 0.00 -0.203 F ATOM 4 C LIG 1 0.059 0.419 0.795 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -0.268 -0.612 -0.101 0.00 0.00 +0.056 A ATOM 6 C LIG 1 0.719 -1.583 -0.340 0.00 0.00 +0.135 A ATOM 7 N LIG 1 1.946 -1.610 0.233 0.00 0.00 -0.250 NA ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 6.142 -0.796 2.854 0.00 0.00 +0.158 A ATOM 9 C LIG 1 5.015 -1.264 3.540 0.00 0.00 +0.166 A ATOM 10 F LIG 1 5.145 -1.790 4.768 0.00 0.00 -0.202 F ATOM 11 C LIG 1 3.741 -1.204 2.978 0.00 0.00 +0.055 A ATOM 12 C LIG 1 3.561 -0.662 1.699 0.00 0.00 +0.041 A ATOM 13 C LIG 1 4.692 -0.190 1.021 0.00 0.00 +0.136 A ATOM 14 F LIG 1 4.566 0.350 -0.200 0.00 0.00 -0.205 F ATOM 15 C LIG 1 5.970 -0.253 1.583 0.00 0.00 +0.087 A BRANCH 8 17 ATOM 16 C LIG 1 8.508 -0.537 2.806 0.00 0.00 +0.277 C ATOM 17 O LIG 1 7.334 -0.913 3.515 0.00 0.00 -0.492 OA ENDBRANCH 8 17 ENDBRANCH 1 12 BRANCH 5 18 ATOM 18 N LIG 1 -1.550 -0.651 -0.701 0.00 0.00 -0.327 N ATOM 19 C LIG 1 -2.367 -1.772 -0.155 0.00 0.00 +0.129 C ATOM 20 C LIG 1 -3.564 -2.189 -1.088 0.00 0.00 +0.064 C ATOM 21 C LIG 1 -3.999 -0.975 -1.930 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -2.858 -0.370 -2.757 0.00 0.00 +0.021 C ATOM 23 C LIG 1 -1.470 -0.637 -2.174 0.00 0.00 +0.105 C BRANCH 20 24 ATOM 24 N LIG 1 -3.098 -3.261 -2.016 0.00 0.00 -0.321 NA ATOM 25 H LIG 1 -2.898 -4.092 -1.450 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 -3.886 -3.549 -2.605 0.00 0.00 +0.119 HD ENDBRANCH 20 24 BRANCH 20 27 ATOM 27 C LIG 1 -4.721 -2.731 -0.182 0.00 0.00 +0.202 C BRANCH 27 28 ATOM 28 C LIG 1 -6.041 -3.019 -0.915 0.00 0.00 +0.371 C ATOM 29 F LIG 1 -5.822 -3.671 -2.085 0.00 0.00 -0.206 F ATOM 30 F LIG 1 -6.681 -1.862 -1.215 0.00 0.00 -0.206 F ENDBRANCH 27 28 BRANCH 27 31 ATOM 31 O LIG 1 -4.241 -3.907 0.510 0.00 0.00 -0.384 OA ATOM 32 H LIG 1 -4.919 -4.186 1.151 0.00 0.00 +0.210 HD ENDBRANCH 27 31 ENDBRANCH 20 27 ENDBRANCH 5 18 BRANCH 4 33 ATOM 33 C LIG 1 -0.895 1.536 1.118 0.00 0.00 +0.164 C BRANCH 33 34 ATOM 34 N LIG 1 -1.058 2.466 0.016 0.00 0.00 -0.310 N ATOM 35 C LIG 1 -0.125 3.350 -0.450 0.00 0.00 +0.166 A ATOM 36 C LIG 1 -0.762 4.029 -1.476 0.00 0.00 +0.147 A ATOM 37 C LIG 1 -0.009 5.008 -2.145 0.00 0.00 +0.147 A ATOM 38 N LIG 1 1.261 5.237 -1.741 0.00 0.00 -0.219 NA ATOM 39 C LIG 1 1.753 4.491 -0.728 0.00 0.00 +0.225 A ATOM 40 N LIG 1 -2.067 3.598 -1.618 0.00 0.00 -0.231 NA ATOM 41 N LIG 1 1.133 3.529 -0.017 0.00 0.00 -0.216 NA ATOM 42 C LIG 1 -2.208 2.663 -0.702 0.00 0.00 +0.202 A BRANCH 37 43 ATOM 43 N LIG 1 -0.513 5.773 -3.190 0.00 0.00 -0.341 N ATOM 44 H LIG 1 -0.020 6.651 -3.284 0.00 0.00 +0.144 HD ATOM 45 H LIG 1 -1.526 5.796 -3.213 0.00 0.00 +0.144 HD ENDBRANCH 37 43 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 10