REMARK Name = BDB011909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.230 -1.976 -0.939 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.051 -1.918 -1.436 0.00 0.00 -0.280 N ATOM 3 C LIG 1 1.246 -1.304 -0.823 0.00 0.00 +0.193 C ATOM 4 C LIG 1 2.369 -2.010 -1.548 0.00 0.00 -0.014 A ATOM 5 C LIG 1 1.856 -2.710 -2.649 0.00 0.00 -0.025 A ATOM 6 C LIG 1 2.687 -3.418 -3.500 0.00 0.00 +0.005 A ATOM 7 C LIG 1 4.056 -3.432 -3.225 0.00 0.00 +0.000 A ATOM 8 C LIG 1 4.571 -2.743 -2.114 0.00 0.00 +0.000 A ATOM 9 C LIG 1 3.727 -2.022 -1.267 0.00 0.00 +0.006 A ATOM 10 C LIG 1 0.369 -2.563 -2.706 0.00 0.00 +0.144 C ATOM 11 O LIG 1 -2.141 -2.475 -1.606 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 1.323 0.227 -1.087 0.00 0.00 +0.242 C ATOM 13 N LIG 1 2.240 0.855 -0.256 0.00 0.00 -0.279 N ATOM 14 H LIG 1 2.593 0.306 0.523 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 0.636 0.776 -1.945 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 2.651 2.209 -0.232 0.00 0.00 +0.105 A ATOM 17 C LIG 1 2.314 3.213 -1.142 0.00 0.00 +0.147 A ATOM 18 F LIG 1 1.537 2.989 -2.207 0.00 0.00 -0.203 F ATOM 19 C LIG 1 2.794 4.519 -0.986 0.00 0.00 +0.040 A ATOM 20 C LIG 1 3.626 4.847 0.083 0.00 0.00 +0.006 A ATOM 21 C LIG 1 3.985 3.861 0.995 0.00 0.00 +0.040 A ATOM 22 C LIG 1 3.501 2.564 0.827 0.00 0.00 +0.147 A ATOM 23 F LIG 1 3.874 1.621 1.709 0.00 0.00 -0.203 F ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 24 ATOM 24 C LIG 1 -1.506 -1.367 0.458 0.00 0.00 +0.162 C BRANCH 24 25 ATOM 25 C LIG 1 -2.775 -1.958 1.094 0.00 0.00 +0.018 C ATOM 26 C LIG 1 -2.659 -3.459 1.392 0.00 0.00 +0.006 C ATOM 27 C LIG 1 -3.679 -3.736 2.495 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -4.094 -2.377 3.049 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -3.096 -1.382 2.475 0.00 0.00 +0.006 C ENDBRANCH 24 25 BRANCH 24 31 ATOM 30 C LIG 1 -0.942 1.012 0.984 0.00 0.00 +0.230 C ATOM 31 N LIG 1 -1.655 0.068 0.285 0.00 0.00 -0.302 N ATOM 32 H LIG 1 -2.334 0.423 -0.387 0.00 0.00 +0.150 HD ATOM 33 O LIG 1 -0.069 0.713 1.796 0.00 0.00 -0.274 OA BRANCH 30 34 ATOM 34 C LIG 1 -1.288 2.463 0.565 0.00 0.00 +0.137 C ATOM 35 C LIG 1 -0.730 3.459 1.573 0.00 0.00 +0.034 C BRANCH 34 37 ATOM 36 C LIG 1 -3.148 3.696 -0.421 0.00 0.00 +0.101 C ATOM 37 N LIG 1 -2.761 2.572 0.419 0.00 0.00 -0.309 NA ATOM 38 H LIG 1 -3.185 2.665 1.343 0.00 0.00 +0.122 HD ENDBRANCH 34 37 ENDBRANCH 30 34 ENDBRANCH 24 31 ENDBRANCH 1 24 TORSDOF 7