REMARK Name = BDB022415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.164 -0.997 0.336 0.00 0.00 -0.018 A ATOM 2 C LIG 1 0.381 0.121 0.674 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.955 -0.008 1.100 0.00 0.00 -0.035 A ATOM 4 C LIG 1 -1.495 -1.295 1.220 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.735 -2.417 0.892 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.580 -2.267 0.449 0.00 0.00 +0.008 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.242 -0.546 -0.998 0.00 0.00 +0.069 A ATOM 8 C LIG 1 4.202 0.193 -1.573 0.00 0.00 +0.145 A ATOM 9 F LIG 1 4.479 1.057 -2.564 0.00 0.00 -0.204 F ATOM 10 C LIG 1 2.881 0.057 -1.150 0.00 0.00 +0.048 A ATOM 11 C LIG 1 2.555 -0.838 -0.122 0.00 0.00 -0.015 A ATOM 12 C LIG 1 3.602 -1.579 0.456 0.00 0.00 +0.010 A ATOM 13 C LIG 1 4.929 -1.437 0.025 0.00 0.00 +0.027 A BRANCH 7 15 ATOM 14 C LIG 1 7.709 -0.942 -1.107 0.00 0.00 +0.241 C ATOM 15 N LIG 1 6.542 -0.328 -1.504 0.00 0.00 -0.280 N ATOM 16 H LIG 1 6.590 0.363 -2.244 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 7.834 -1.800 -0.242 0.00 0.00 -0.271 OA BRANCH 14 19 ATOM 18 C LIG 1 10.113 -0.925 -1.635 0.00 0.00 +0.013 C ATOM 19 C LIG 1 8.887 -0.442 -1.873 0.00 0.00 +0.060 C ENDBRANCH 14 19 ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 3 20 ATOM 20 C LIG 1 -1.788 1.219 1.473 0.00 0.00 +0.108 C BRANCH 20 21 ATOM 21 C LIG 1 -1.653 2.303 0.387 0.00 0.00 +0.226 C ATOM 22 N LIG 1 -2.377 2.288 -0.762 0.00 0.00 -0.268 N ATOM 23 H LIG 1 -2.145 3.041 -1.396 0.00 0.00 +0.156 HD ATOM 24 O LIG 1 -0.829 3.220 0.509 0.00 0.00 -0.275 OA BRANCH 22 25 ATOM 25 C LIG 1 -3.354 1.478 -1.274 0.00 0.00 +0.147 A ATOM 26 N LIG 1 -3.807 1.792 -2.494 0.00 0.00 -0.158 NA ATOM 27 N LIG 1 -4.732 0.860 -2.766 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -5.209 0.892 -3.661 0.00 0.00 +0.189 HD ATOM 29 C LIG 1 -4.904 -0.026 -1.752 0.00 0.00 +0.041 A ATOM 30 C LIG 1 -4.021 0.343 -0.767 0.00 0.00 +0.068 A BRANCH 29 31 ATOM 31 C LIG 1 -5.875 -1.224 -1.731 0.00 0.00 +0.037 C ATOM 32 C LIG 1 -6.870 -1.339 -0.607 0.00 0.00 +0.010 C ATOM 33 C LIG 1 -7.338 -0.982 -1.988 0.00 0.00 +0.010 C ENDBRANCH 29 31 ENDBRANCH 22 25 ENDBRANCH 20 21 BRANCH 20 34 ATOM 34 C LIG 1 -1.377 1.784 2.873 0.00 0.00 -0.001 C ATOM 35 C LIG 1 -2.314 2.926 3.300 0.00 0.00 +0.008 C ATOM 36 C LIG 1 -1.401 0.716 3.976 0.00 0.00 +0.008 C ENDBRANCH 20 34 ENDBRANCH 3 20 TORSDOF 8